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

C16H23N5O — CID 126431719

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide
SMILESCCCC[C@@H](NC(=O)CCc1nncn1C)c1cccnc1
InChIInChI=1S/C16H23N5O/c1-3-4-7-14(13-6-5-10-17-11-13)19-16(22)9-8-15-20-18-12-21(15)2/h5-6,10-12,14H,3-4,7-9H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyBRLXTTKSQJCHQG-CQSZACIVSA-N
MW301.39 g/mol
LogP2.19
Rot. Bonds8

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

3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide (PubChem CID 126431719) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide
PubChem CID126431719
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide
SMILESCCCC[C@@H](NC(=O)CCc1nncn1C)c1cccnc1
InChIInChI=1S/C16H23N5O/c1-3-4-7-14(13-6-5-10-17-11-13)19-16(22)9-8-15-20-18-12-21(15)2/h5-6,10-12,14H,3-4,7-9H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyBRLXTTKSQJCHQG-CQSZACIVSA-N
XLogP2.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 99929121
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 122570848
2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 91783750
3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
CID 125447618
N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 99929107
3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide
CID 125441013
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 118782889
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
N-(1-pyridin-3-ylpentyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122556162
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125446347
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
ethane;[2-(octanoylamino)-2-pyridin-3-ylethyl] dihydrogen phosphate
CID 91028509

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide (CID 126431719) is 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide is CCCC[C@@H](NC(=O)CCc1nncn1C)c1cccnc1.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide?
The InChIKey is BRLXTTKSQJCHQG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-4-7-14(13-6-5-10-17-11-13)19-16(22)9-8-15-20-18-12-21(15)2/h5-6,10-12,14H,3-4,7-9H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide?
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide is sourced from PubChem (CID 126431719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).