N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide

C14H19N5O — CID 125168245

IUPACN-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cccc(C[C@H](C)NC(=O)CCn2cncn2)n1
InChIInChI=1S/C14H19N5O/c1-11-4-3-5-13(17-11)8-12(2)18-14(20)6-7-19-10-15-9-16-19/h3-5,9-10,12H,6-8H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyMOYOTIRQPKKMHG-LBPRGKRZSA-N
MW273.34 g/mol
LogP1.12
Rot. Bonds6

About N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 125168245) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID125168245
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cccc(C[C@H](C)NC(=O)CCn2cncn2)n1
InChIInChI=1S/C14H19N5O/c1-11-4-3-5-13(17-11)8-12(2)18-14(20)6-7-19-10-15-9-16-19/h3-5,9-10,12H,6-8H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyMOYOTIRQPKKMHG-LBPRGKRZSA-N
XLogP1.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide
CID 126437741
4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide
CID 91837939
3-(methanesulfonamido)-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide
CID 125171127
N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95296206
N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 124753193
(2S)-3-phenyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 28788825
N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95160043
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
1,6-dimethyl-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-4-oxopyridine-2-carboxamide
CID 125161516
2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43469556
6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide
CID 51079304
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91843379

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 125168245) is N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide is Cc1cccc(C[C@H](C)NC(=O)CCn2cncn2)n1.
What is the InChIKey of N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is MOYOTIRQPKKMHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-4-3-5-13(17-11)8-12(2)18-14(20)6-7-19-10-15-9-16-19/h3-5,9-10,12H,6-8H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 125168245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).