N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide

C20H21N5O2 — CID 159053138

IUPACN-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)Cc2nncn2C)cc([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-13(14-7-5-4-6-8-14)16-9-15(10-17(23-16)20(27)21-2)18(26)11-19-24-22-12-25(19)3/h4-10,12-13H,11H2,1-3H3,(H,21,27)/t13-/m0/s1
InChIKeyJXNJSCXIXYEURF-ZDUSSCGKSA-N
MW363.42 g/mol
LogP2.15
Rot. Bonds6

About N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide

N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide (PubChem CID 159053138) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
PubChem CID159053138
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)Cc2nncn2C)cc([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-13(14-7-5-4-6-8-14)16-9-15(10-17(23-16)20(27)21-2)18(26)11-19-24-22-12-25(19)3/h4-10,12-13H,11H2,1-3H3,(H,21,27)/t13-/m0/s1
InChIKeyJXNJSCXIXYEURF-ZDUSSCGKSA-N
XLogP2.15
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 149474637
N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide
CID 157281845
N-methyl-4-[4-(1,2-oxazol-4-yl)butanoyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 161310396
4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide
CID 131997086
2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 131997330
N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 158532324
2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 131997225
2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine
CID 142417875
4-[5-[5-(1,3-dioxoisoindol-2-yl)-1,3-dioxan-2-yl]pentanoyl]-N-methyl-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 160626362
6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide
CID 159754646
tert-butyl 2-[hydroxy(methylamino)methyl]-6-[(1S)-1-[3-[2-methyl-2-[2-(methylcarbamoyl)-6-[(1R)-1-phenylethyl]pyridine-4-carbonyl]oxypropyl]phenyl]ethyl]pyridine-4-carboxylate
CID 155238212
tert-butyl 4,4-difluoro-3-[2-[[2-(methylcarbamoyl)-6-[(1S)-1-phenylethyl]pyridine-4-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 138557146

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide (CID 159053138) is N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide is CNC(=O)c1cc(C(=O)Cc2nncn2C)cc([C@@H](C)c2ccccc2)n1.
What is the InChIKey of N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide?
The InChIKey is JXNJSCXIXYEURF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13(14-7-5-4-6-8-14)16-9-15(10-17(23-16)20(27)21-2)18(26)11-19-24-22-12-25(19)3/h4-10,12-13H,11H2,1-3H3,(H,21,27)/t13-/m0/s1.
What are the key properties of N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide?
N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 159053138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).