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

C12H15N5O2 — CID 37247400

IUPAC(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ncccc1CNC(=O)[C@@H](C)n1cncn1
InChIInChI=1S/C12H15N5O2/c1-9(17-8-13-7-16-17)11(18)15-6-10-4-3-5-14-12(10)19-2/h3-5,7-9H,6H2,1-2H3,(H,15,18)/t9-/m1/s1
InChIKeyTWJYEHXSKYNHNQ-SECBINFHSA-N
MW261.29 g/mol
LogP0.56
Rot. Bonds5

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

(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 37247400) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID37247400
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ncccc1CNC(=O)[C@@H](C)n1cncn1
InChIInChI=1S/C12H15N5O2/c1-9(17-8-13-7-16-17)11(18)15-6-10-4-3-5-14-12(10)19-2/h3-5,7-9H,6H2,1-2H3,(H,15,18)/t9-/m1/s1
InChIKeyTWJYEHXSKYNHNQ-SECBINFHSA-N
XLogP0.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94171586
(2S)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 26413168
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
(2S)-N-[(2-phenoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94810471
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 116675894
(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795520

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 37247400) is (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is COc1ncccc1CNC(=O)[C@@H](C)n1cncn1.
What is the InChIKey of (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is TWJYEHXSKYNHNQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9(17-8-13-7-16-17)11(18)15-6-10-4-3-5-14-12(10)19-2/h3-5,7-9H,6H2,1-2H3,(H,15,18)/t9-/m1/s1.
What are the key properties of (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 261.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 37247400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).