N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide

C20H23N5O — CID 126450378

IUPACN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1-c1cccc(C(=O)N[C@H](c2ncnn2C)C(C)C)c1
InChIInChI=1S/C20H23N5O/c1-13(2)18(19-22-12-23-25(19)4)24-20(26)16-7-5-6-15(10-16)17-8-9-21-11-14(17)3/h5-13,18H,1-4H3,(H,24,26)/t18-/m0/s1
InChIKeyXPLQEBMDVIZVSA-SFHVURJKSA-N
MW349.44 g/mol
LogP3.31
Rot. Bonds5

About N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide

N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide (PubChem CID 126450378) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide
PubChem CID126450378
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1-c1cccc(C(=O)N[C@H](c2ncnn2C)C(C)C)c1
InChIInChI=1S/C20H23N5O/c1-13(2)18(19-22-12-23-25(19)4)24-20(26)16-7-5-6-15(10-16)17-8-9-21-11-14(17)3/h5-13,18H,1-4H3,(H,24,26)/t18-/m0/s1
InChIKeyXPLQEBMDVIZVSA-SFHVURJKSA-N
XLogP3.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 126440387
methyl 4-[3-[[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxylate
CID 125447777
5-fluoro-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 125442541
5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 125442540
3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 125178271
3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 122557982
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
CID 126449011
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125157786
2-(methylamino)-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 124842063
N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide
CID 118789621
3-(3-cyano-2-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 119064430
3-(3-cyano-2-pyridinyl)-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 126434405

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide?
The IUPAC name of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide (CID 126450378) is N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide is Cc1cnccc1-c1cccc(C(=O)N[C@H](c2ncnn2C)C(C)C)c1.
What is the InChIKey of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide?
The InChIKey is XPLQEBMDVIZVSA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13(2)18(19-22-12-23-25(19)4)24-20(26)16-7-5-6-15(10-16)17-8-9-21-11-14(17)3/h5-13,18H,1-4H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide?
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide has a molecular weight of 349.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 126450378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).