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

C14H19N5O2 — CID 99978107

IUPAC(2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cccc(=O)n1CCCNC(=O)[C@H](C)n1cncn1
InChIInChI=1S/C14H19N5O2/c1-11-5-3-6-13(20)18(11)8-4-7-16-14(21)12(2)19-10-15-9-17-19/h3,5-6,9-10,12H,4,7-8H2,1-2H3,(H,16,21)/t12-/m0/s1
InChIKeyCNBMMVQSEWJTSP-LBPRGKRZSA-N
MW289.34 g/mol
LogP0.52
Rot. Bonds6

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

(2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 99978107) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID99978107
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cccc(=O)n1CCCNC(=O)[C@H](C)n1cncn1
InChIInChI=1S/C14H19N5O2/c1-11-5-3-6-13(20)18(11)8-4-7-16-14(21)12(2)19-10-15-9-17-19/h3,5-6,9-10,12H,4,7-8H2,1-2H3,(H,16,21)/t12-/m0/s1
InChIKeyCNBMMVQSEWJTSP-LBPRGKRZSA-N
XLogP0.52
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 99978107) is (2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide is Cc1cccc(=O)n1CCCNC(=O)[C@H](C)n1cncn1.
What is the InChIKey of (2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is CNBMMVQSEWJTSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-11-5-3-6-13(20)18(11)8-4-7-16-14(21)12(2)19-10-15-9-17-19/h3,5-6,9-10,12H,4,7-8H2,1-2H3,(H,16,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 99978107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).