[5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine

C63H79N19O2 — CID 157049975

IUPAC[5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine
SMILESCN1CCN(C(=O)c2ccc(-c3ccncc3N)cn2)CC1.CN1CCN(c2ccc(-c3ccncc3N)cn2)CC1.Cc1nc(N2CCN(C)CC2)ccc1-c1ccncc1N.Cc1nc(O[C@H]2CCN(C)C2)ccc1-c1ccncc1N
InChIInChI=1S/C16H19N5O.C16H21N5.C16H20N4O.C15H19N5/c1-20-6-8-21(9-7-20)16(22)15-3-2-12(10-19-15)13-4-5-18-11-14(13)17;1-12-13(14-5-6-18-11-15(14)17)3-4-16(19-12)21-9-7-20(2)8-10-21;1-11-13(14-5-7-18-9-15(14)17)3-4-16(19-11)21-12-6-8-20(2)10-12;1-19-6-8-20(9-7-19)15-3-2-12(10-18-15)13-4-5-17-11-14(13)16/h2-5,10-11H,6-9,17H2,1H3;3-6,11H,7-10,17H2,1-2H3;3-5,7,9,12H,6,8,10,17H2,1-2H3;2-5,10-11H,6-9,16H2,1H3/t;;12-;/m..0./s1
InChIKeyAABSWUTZLDHDTI-XADMQAQGSA-N
MW1134.46 g/mol
LogP6.49
Rot. Bonds9

About [5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine

[5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine (PubChem CID 157049975) has the molecular formula C63H79N19O2 and a molecular weight of 1134.46 g/mol. Its IUPAC name is [5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine.

Molecular Properties

Compound Name[5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine
PubChem CID157049975
Molecular FormulaC63H79N19O2
Molecular Weight1134.46 g/mol
Exact Mass1133.67
IUPAC Name[5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine
SMILESCN1CCN(C(=O)c2ccc(-c3ccncc3N)cn2)CC1.CN1CCN(c2ccc(-c3ccncc3N)cn2)CC1.Cc1nc(N2CCN(C)CC2)ccc1-c1ccncc1N.Cc1nc(O[C@H]2CCN(C)C2)ccc1-c1ccncc1N
InChIInChI=1S/C16H19N5O.C16H21N5.C16H20N4O.C15H19N5/c1-20-6-8-21(9-7-20)16(22)15-3-2-12(10-19-15)13-4-5-18-11-14(13)17;1-12-13(14-5-6-18-11-15(14)17)3-4-16(19-12)21-9-7-20(2)8-10-21;1-11-13(14-5-7-18-9-15(14)17)3-4-16(19-11)21-12-6-8-20(2)10-12;1-19-6-8-20(9-7-19)15-3-2-12(10-18-15)13-4-5-17-11-14(13)16/h2-5,10-11H,6-9,17H2,1H3;3-6,11H,7-10,17H2,1-2H3;3-5,7,9,12H,6,8,10,17H2,1-2H3;2-5,10-11H,6-9,16H2,1H3/t;;12-;/m..0./s1
InChIKeyAABSWUTZLDHDTI-XADMQAQGSA-N
XLogP6.49
TPSA256.18 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001134.46
LogP ≤ 56.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze [5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[(2R,5R)-5-[(4-cyano-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-5-phenyl-2-pyridinyl]acetamide
CID 137650367
6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 124196707
2-(1,1-difluoroethyl)-N-[5-(2-ethoxy-6-morpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117609729
2-(difluoromethyl)-N-[5-(2-ethoxy-6-morpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610117
6'-Amino-N-[2-(4-morpholinyl)oxazolo[5,4-b]pyridin-5-yl][2,3'-bipyridine]-6-carboxamide
CID 118224405
5-(8-Morpholino-2-((quinolin-2-yloxy)methyl)imidazo[1,2-a]pyrazin-5-yl)picolinamide
CID 86345856
N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 117609724
4-(2-fluoropropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide
CID 117609782
2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyridin-2-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610054
N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 117610058
2-cyclopropyl-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 117610041
2-(2-cyanopropan-2-yl)-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 117610053

Frequently Asked Questions

What is the IUPAC name of [5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine?
The IUPAC name of [5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine (CID 157049975) is [5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine.
What is the SMILES notation for [5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine?
The canonical SMILES for [5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine is CN1CCN(C(=O)c2ccc(-c3ccncc3N)cn2)CC1.CN1CCN(c2ccc(-c3ccncc3N)cn2)CC1.Cc1nc(N2CCN(C)CC2)ccc1-c1ccncc1N.Cc1nc(O[C@H]2CCN(C)C2)ccc1-c1ccncc1N.
What is the InChIKey of [5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine?
The InChIKey is AABSWUTZLDHDTI-XADMQAQGSA-N. The full InChI is InChI=1S/C16H19N5O.C16H21N5.C16H20N4O.C15H19N5/c1-20-6-8-21(9-7-20)16(22)15-3-2-12(10-19-15)13-4-5-18-11-14(13)17;1-12-13(14-5-6-18-11-15(14)17)3-4-16(19-12)21-9-7-20(2)8-10-21;1-11-13(14-5-7-18-9-15(14)17)3-4-16(19-11)21-12-6-8-20(2)10-12;1-19-6-8-20(9-7-19)15-3-2-12(10-18-15)13-4-5-17-11-14(13)16/h2-5,10-11H,6-9,17H2,1H3;3-6,11H,7-10,17H2,1-2H3;3-5,7,9,12H,6,8,10,17H2,1-2H3;2-5,10-11H,6-9,16H2,1H3/t;;12-;/m..0./s1.
What are the key properties of [5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine?
[5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine has a molecular weight of 1134.46 g/mol, XLogP of 6.49, 9 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 157049975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).