N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide

C19H22N6O — CID 95708356

IUPACN-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(N[C@H](C)c2ccc(-n3cncn3)cc2)ccn1
InChIInChI=1S/C19H22N6O/c1-13(2)23-19(26)18-10-16(8-9-21-18)24-14(3)15-4-6-17(7-5-15)25-12-20-11-22-25/h4-14H,1-3H3,(H,21,24)(H,23,26)/t14-/m1/s1
InChIKeyCAJFZMVNCMSKSW-CQSZACIVSA-N
MW350.43 g/mol
LogP2.97
Rot. Bonds6

About N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide

N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide (PubChem CID 95708356) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide
PubChem CID95708356
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(N[C@H](C)c2ccc(-n3cncn3)cc2)ccn1
InChIInChI=1S/C19H22N6O/c1-13(2)23-19(26)18-10-16(8-9-21-18)24-14(3)15-4-6-17(7-5-15)25-12-20-11-22-25/h4-14H,1-3H3,(H,21,24)(H,23,26)/t14-/m1/s1
InChIKeyCAJFZMVNCMSKSW-CQSZACIVSA-N
XLogP2.97
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
2-(4-propan-2-ylphenoxy)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25471828
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2H-triazole-4-carboxamide
CID 95715538
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7993181
4-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 51218022
2-(2-methoxyphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582996
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
2-(4-phenoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 134011978
3-(3,5-dimethoxyphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 51232193
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide (CID 95708356) is N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide is CC(C)NC(=O)c1cc(N[C@H](C)c2ccc(-n3cncn3)cc2)ccn1.
What is the InChIKey of N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide?
The InChIKey is CAJFZMVNCMSKSW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(2)23-19(26)18-10-16(8-9-21-18)24-14(3)15-4-6-17(7-5-15)25-12-20-11-22-25/h4-14H,1-3H3,(H,21,24)(H,23,26)/t14-/m1/s1.
What are the key properties of N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide?
N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 95708356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).