2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide

C17H25N7O — CID 97212732

IUPAC2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H](C)n1cncn1
InChIInChI=1S/C17H25N7O/c1-13(14(2)24-12-18-11-20-24)21-17(25)15-4-5-19-16(10-15)23-8-6-22(3)7-9-23/h4-5,10-14H,6-9H2,1-3H3,(H,21,25)/t13-,14-/m0/s1
InChIKeyJZLVLSFWPWYZKK-KBPBESRZSA-N
MW343.44 g/mol
LogP0.80
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide (PubChem CID 97212732) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide
PubChem CID97212732
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H](C)n1cncn1
InChIInChI=1S/C17H25N7O/c1-13(14(2)24-12-18-11-20-24)21-17(25)15-4-5-19-16(10-15)23-8-6-22(3)7-9-23/h4-5,10-14H,6-9H2,1-3H3,(H,21,25)/t13-,14-/m0/s1
InChIKeyJZLVLSFWPWYZKK-KBPBESRZSA-N
XLogP0.80
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide
CID 97212733
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid
CID 120614998
N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 97212701
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111485980
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide
CID 56788391
N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 84573364
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,2,4-triazol-1-yl)isoquinolin-3-yl]ethanone
CID 152940148
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94571784

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide (CID 97212732) is 2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H](C)n1cncn1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide?
The InChIKey is JZLVLSFWPWYZKK-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25N7O/c1-13(14(2)24-12-18-11-20-24)21-17(25)15-4-5-19-16(10-15)23-8-6-22(3)7-9-23/h4-5,10-14H,6-9H2,1-3H3,(H,21,25)/t13-,14-/m0/s1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97212732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).