N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine

C21H32N4 — CID 66816011

IUPACN-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCN1CCN(c2ccnc(N(C)C34CC5CC(CC(C5)C3)C4)c2)CC1
InChIInChI=1S/C21H32N4/c1-23-5-7-25(8-6-23)19-3-4-22-20(12-19)24(2)21-13-16-9-17(14-21)11-18(10-16)15-21/h3-4,12,16-18H,5-11,13-15H2,1-2H3
InChIKeyVTKODKALPRNVDA-UHFFFAOYSA-N
MW340.52 g/mol
LogP3.24
Rot. Bonds3

About N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine

N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine (PubChem CID 66816011) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
PubChem CID66816011
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC NameN-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCN1CCN(c2ccnc(N(C)C34CC5CC(CC(C5)C3)C4)c2)CC1
InChIInChI=1S/C21H32N4/c1-23-5-7-25(8-6-23)19-3-4-22-20(12-19)24(2)21-13-16-9-17(14-21)11-18(10-16)15-21/h3-4,12,16-18H,5-11,13-15H2,1-2H3
InChIKeyVTKODKALPRNVDA-UHFFFAOYSA-N
XLogP3.24
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 90146384
N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112800397
N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 67455415
N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline
CID 25216821
1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine
CID 25218150
4-(4-methylpiperazin-1-yl)-N-[(1S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
CID 58227229
2-methyl-N-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285764
2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 175777554
1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine
CID 25218278
2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine
CID 163230195
N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 67087618
1-adamantyl-[7-(4-methylpiperazin-1-yl)-2H-chromen-3-yl]methanone
CID 11538407

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine (CID 66816011) is N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine is CN1CCN(c2ccnc(N(C)C34CC5CC(CC(C5)C3)C4)c2)CC1.
What is the InChIKey of N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is VTKODKALPRNVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-23-5-7-25(8-6-23)19-3-4-22-20(12-19)24(2)21-13-16-9-17(14-21)11-18(10-16)15-21/h3-4,12,16-18H,5-11,13-15H2,1-2H3.
What are the key properties of N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 340.52 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 66816011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).