N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide

C20H21N5O — CID 96521620

IUPACN-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESCc1nc(-c2ccc(C(=O)N(C3CC3)[C@@H](C)c3ccccn3)cc2)n[nH]1
InChIInChI=1S/C20H21N5O/c1-13(18-5-3-4-12-21-18)25(17-10-11-17)20(26)16-8-6-15(7-9-16)19-22-14(2)23-24-19/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,24)/t13-/m0/s1
InChIKeySRMKFTZBORPIDE-ZDUSSCGKSA-N
MW347.42 g/mol
LogP3.54
Rot. Bonds5

About N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide

N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide (PubChem CID 96521620) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide
PubChem CID96521620
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESCc1nc(-c2ccc(C(=O)N(C3CC3)[C@@H](C)c3ccccn3)cc2)n[nH]1
InChIInChI=1S/C20H21N5O/c1-13(18-5-3-4-12-21-18)25(17-10-11-17)20(26)16-8-6-15(7-9-16)19-22-14(2)23-24-19/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,24)/t13-/m0/s1
InChIKeySRMKFTZBORPIDE-ZDUSSCGKSA-N
XLogP3.54
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide
CID 71866938
N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide
CID 97222886
N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 95277339
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide
CID 51093102
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 71937517
3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 71937515
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 55919915
N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 75535641
N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
CID 55921071
N-cyclopropyl-6-methyl-1-propan-2-yl-N-[(1S)-1-pyridin-2-ylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51960144
3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 51966836
3-acetamido-N-cyclopropyl-3-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)propanamide
CID 55921203

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide (CID 96521620) is N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide is Cc1nc(-c2ccc(C(=O)N(C3CC3)[C@@H](C)c3ccccn3)cc2)n[nH]1.
What is the InChIKey of N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is SRMKFTZBORPIDE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13(18-5-3-4-12-21-18)25(17-10-11-17)20(26)16-8-6-15(7-9-16)19-22-14(2)23-24-19/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,24)/t13-/m0/s1.
What are the key properties of N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 96521620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).