2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide

C19H23N5O2 — CID 95974643

IUPAC2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
SMILESCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1N(C)C(=O)C1CC1
InChIInChI=1S/C19H23N5O2/c1-12-20-17-15(7-5-11-24(17)22-12)21-18(25)14-6-3-4-8-16(14)23(2)19(26)13-9-10-13/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyXKKBLQXANKYOJS-HNNXBMFYSA-N
MW353.43 g/mol
LogP2.22
Rot. Bonds4

About 2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide

2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide (PubChem CID 95974643) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
PubChem CID95974643
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
SMILESCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1N(C)C(=O)C1CC1
InChIInChI=1S/C19H23N5O2/c1-12-20-17-15(7-5-11-24(17)22-12)21-18(25)14-6-3-4-8-16(14)23(2)19(26)13-9-10-13/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyXKKBLQXANKYOJS-HNNXBMFYSA-N
XLogP2.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 119478823
ethyl 4-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]piperidine-1-carboxylate
CID 46491359
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 111930602
N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 96534362
N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide
CID 100640927
2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
CID 119224969
N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 86822897
N-methyl-N-(2-methylphenyl)cyclopropanecarboxamide
CID 64593225
N-[2-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]-N-methylcyclopropanecarboxamide
CID 78886695
1-[(1S)-cyclohex-3-en-1-yl]-3-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96995511
1-[(1S)-cyclohex-3-en-1-yl]-3-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96995510
2-[[(cyclopentylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 91648161

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide (CID 95974643) is 2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide is Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1N(C)C(=O)C1CC1.
What is the InChIKey of 2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The InChIKey is XKKBLQXANKYOJS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-20-17-15(7-5-11-24(17)22-12)21-18(25)14-6-3-4-8-16(14)23(2)19(26)13-9-10-13/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3,(H,21,25)/t15-/m0/s1.
What are the key properties of 2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide has a molecular weight of 353.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 95974643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).