[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone

C21H27N5O — CID 126424652

IUPAC[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone
SMILESCc1cc(-c2ccc(C(=O)N3CCN([C@H]4CCNC4)CC3)cc2)cnc1N
InChIInChI=1S/C21H27N5O/c1-15-12-18(13-24-20(15)22)16-2-4-17(5-3-16)21(27)26-10-8-25(9-11-26)19-6-7-23-14-19/h2-5,12-13,19,23H,6-11,14H2,1H3,(H2,22,24)/t19-/m0/s1
InChIKeyUDOFESYUCLULKC-IBGZPJMESA-N
MW365.48 g/mol
LogP1.76
Rot. Bonds3

About [4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone

[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone (PubChem CID 126424652) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone
PubChem CID126424652
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone
SMILESCc1cc(-c2ccc(C(=O)N3CCN([C@H]4CCNC4)CC3)cc2)cnc1N
InChIInChI=1S/C21H27N5O/c1-15-12-18(13-24-20(15)22)16-2-4-17(5-3-16)21(27)26-10-8-25(9-11-26)19-6-7-23-14-19/h2-5,12-13,19,23H,6-11,14H2,1H3,(H2,22,24)/t19-/m0/s1
InChIKeyUDOFESYUCLULKC-IBGZPJMESA-N
XLogP1.76
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 124757608
[4-[6-amino-5-[(4,6-dimethylpyrimidin-2-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885903
[4-[6-amino-5-[(4-fluoro-3-methylphenyl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885923
[4-[6-amino-5-[2-(2-chloro-6-fluoro-3-methylphenyl)ethoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 90727140
[4-[6-amino-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885762
2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 126671603
[2-methyl-5-(trifluoromethyl)phenyl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 91834156
[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 66202136
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 118792373
methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066
[4-[6-amino-5-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885938
[4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885873

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of [4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone (CID 126424652) is [4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for [4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone is Cc1cc(-c2ccc(C(=O)N3CCN([C@H]4CCNC4)CC3)cc2)cnc1N.
What is the InChIKey of [4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is UDOFESYUCLULKC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-12-18(13-24-20(15)22)16-2-4-17(5-3-16)21(27)26-10-8-25(9-11-26)19-6-7-23-14-19/h2-5,12-13,19,23H,6-11,14H2,1H3,(H2,22,24)/t19-/m0/s1.
What are the key properties of [4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone?
[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 126424652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).