N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide

C20H25N5O2 — CID 176837614

IUPACN-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cnc(NC(=O)C2CC2)cc1-c1cc(N2CCNC[C@@H]2C)[nH]c(=O)c1
InChIInChI=1S/C20H25N5O2/c1-12-10-22-17(23-20(27)14-3-4-14)9-16(12)15-7-18(24-19(26)8-15)25-6-5-21-11-13(25)2/h7-10,13-14,21H,3-6,11H2,1-2H3,(H,24,26)(H,22,23,27)/t13-/m0/s1
InChIKeyAKYKTSWHEAGNMZ-ZDUSSCGKSA-N
MW367.45 g/mol
LogP1.89
Rot. Bonds4

About N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 176837614) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID176837614
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cnc(NC(=O)C2CC2)cc1-c1cc(N2CCNC[C@@H]2C)[nH]c(=O)c1
InChIInChI=1S/C20H25N5O2/c1-12-10-22-17(23-20(27)14-3-4-14)9-16(12)15-7-18(24-19(26)8-15)25-6-5-21-11-13(25)2/h7-10,13-14,21H,3-6,11H2,1-2H3,(H,24,26)(H,22,23,27)/t13-/m0/s1
InChIKeyAKYKTSWHEAGNMZ-ZDUSSCGKSA-N
XLogP1.89
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(2S)-4-(4-fluorobenzoyl)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide
CID 176837596
N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 176837568
azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate
CID 176837559
N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide
CID 79734229
N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 129261123
N-[5-methyl-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626822
N-[4-methyl-5-(methylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 167023085
N-[5-methyl-4-[1-prop-2-enyl-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 86688703
N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide
CID 167702912
N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
CID 72661282
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide
CID 71657479

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 176837614) is N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide is Cc1cnc(NC(=O)C2CC2)cc1-c1cc(N2CCNC[C@@H]2C)[nH]c(=O)c1.
What is the InChIKey of N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is AKYKTSWHEAGNMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12-10-22-17(23-20(27)14-3-4-14)9-16(12)15-7-18(24-19(26)8-15)25-6-5-21-11-13(25)2/h7-10,13-14,21H,3-6,11H2,1-2H3,(H,24,26)(H,22,23,27)/t13-/m0/s1.
What are the key properties of N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[2-[(2S)-2-methylpiperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 176837614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).