3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one

C16H19N5O — CID 146145013

IUPAC3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one
SMILESCC(C)C(NCc1ccc[nH]c1=O)c1nnc2ccccn12
InChIInChI=1S/C16H19N5O/c1-11(2)14(18-10-12-6-5-8-17-16(12)22)15-20-19-13-7-3-4-9-21(13)15/h3-9,11,14,18H,10H2,1-2H3,(H,17,22)
InChIKeyCYMXWRPCGUNQBS-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.90
Rot. Bonds5

About 3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one

3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one (PubChem CID 146145013) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one
PubChem CID146145013
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one
SMILESCC(C)C(NCc1ccc[nH]c1=O)c1nnc2ccccn12
InChIInChI=1S/C16H19N5O/c1-11(2)14(18-10-12-6-5-8-17-16(12)22)15-20-19-13-7-3-4-9-21(13)15/h3-9,11,14,18H,10H2,1-2H3,(H,17,22)
InChIKeyCYMXWRPCGUNQBS-UHFFFAOYSA-N
XLogP1.90
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 97108873
(1R)-N-[(2-chlorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697737
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 75419226
2-methoxy-5-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]phenol
CID 56823178
(1S)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 97211230
3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]benzene-1,2-diol
CID 61317861
2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474102
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 75380780
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-1-carboxamide
CID 111443965
2-bromo-6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol
CID 61390944
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697735

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one (CID 146145013) is 3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one is CC(C)C(NCc1ccc[nH]c1=O)c1nnc2ccccn12.
What is the InChIKey of 3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one?
The InChIKey is CYMXWRPCGUNQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11(2)14(18-10-12-6-5-8-17-16(12)22)15-20-19-13-7-3-4-9-21(13)15/h3-9,11,14,18H,10H2,1-2H3,(H,17,22).
What are the key properties of 3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one?
3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 146145013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).