3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide

C22H27N5O — CID 125156737

IUPAC3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide
SMILESCCCC[C@H](c1cccnc1)N(C)C(=O)c1cccc(-c2nc(C)n(C)n2)c1
InChIInChI=1S/C22H27N5O/c1-5-6-12-20(19-11-8-13-23-15-19)26(3)22(28)18-10-7-9-17(14-18)21-24-16(2)27(4)25-21/h7-11,13-15,20H,5-6,12H2,1-4H3/t20-/m1/s1
InChIKeyKXKCPTBAXVIRBH-HXUWFJFHSA-N
MW377.49 g/mol
LogP4.19
Rot. Bonds7

About 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide

3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide (PubChem CID 125156737) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide.

Molecular Properties

Compound Name3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide
PubChem CID125156737
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide
SMILESCCCC[C@H](c1cccnc1)N(C)C(=O)c1cccc(-c2nc(C)n(C)n2)c1
InChIInChI=1S/C22H27N5O/c1-5-6-12-20(19-11-8-13-23-15-19)26(3)22(28)18-10-7-9-17(14-18)21-24-16(2)27(4)25-21/h7-11,13-15,20H,5-6,12H2,1-4H3/t20-/m1/s1
InChIKeyKXKCPTBAXVIRBH-HXUWFJFHSA-N
XLogP4.19
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-[(1R)-1-pyridin-3-ylpropyl]benzamide
CID 125155931
N,1,3-trimethyl-2,6-dioxo-N-[(1S)-1-pyridin-3-ylpentyl]pyrimidine-4-carboxamide
CID 95144359
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 118768447
4-(difluoromethoxy)-N-methyl-N-(1-pyridin-3-ylpentyl)benzamide
CID 131892363
6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide
CID 99935099
7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide
CID 96580826
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 97436636
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 137027898
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea
CID 137027899
6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide
CID 97113120
N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide
CID 125172275
3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
CID 119065675

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide?
The IUPAC name of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide (CID 125156737) is 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide.
What is the SMILES notation for 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide?
The canonical SMILES for 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide is CCCC[C@H](c1cccnc1)N(C)C(=O)c1cccc(-c2nc(C)n(C)n2)c1.
What is the InChIKey of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide?
The InChIKey is KXKCPTBAXVIRBH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N5O/c1-5-6-12-20(19-11-8-13-23-15-19)26(3)22(28)18-10-7-9-17(14-18)21-24-16(2)27(4)25-21/h7-11,13-15,20H,5-6,12H2,1-4H3/t20-/m1/s1.
What are the key properties of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide?
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide is sourced from PubChem (CID 125156737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).