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

C16H23N5O — CID 125165548

IUPACN-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC(C)C[C@@H](NC(=O)CCCn1cncn1)c1cccnc1
InChIInChI=1S/C16H23N5O/c1-13(2)9-15(14-5-3-7-17-10-14)20-16(22)6-4-8-21-12-18-11-19-21/h3,5,7,10-13,15H,4,6,8-9H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyKLAICSWEABHSDT-OAHLLOKOSA-N
MW301.39 g/mol
LogP2.36
Rot. Bonds8

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

N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 125165548) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID125165548
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC(C)C[C@@H](NC(=O)CCCn1cncn1)c1cccnc1
InChIInChI=1S/C16H23N5O/c1-13(2)9-15(14-5-3-7-17-10-14)20-16(22)6-4-8-21-12-18-11-19-21/h3,5,7,10-13,15H,4,6,8-9H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyKLAICSWEABHSDT-OAHLLOKOSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide with MolForge

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Related Compounds

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86829051
N-[(1R)-1-phenylbut-3-ynyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 97057406
(2S)-4-methyl-2-[4-(1,2,4-triazol-1-yl)butanoylamino]pentanamide
CID 131948202
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
CID 124756065
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125438783
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 124750445
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 125165548) is N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide is CC(C)C[C@@H](NC(=O)CCCn1cncn1)c1cccnc1.
What is the InChIKey of N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is KLAICSWEABHSDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13(2)9-15(14-5-3-7-17-10-14)20-16(22)6-4-8-21-12-18-11-19-21/h3,5,7,10-13,15H,4,6,8-9H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 301.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 125165548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).