1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one

C14H17N3O — CID 62880693

IUPAC1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one
SMILESCCCNc1ncccc1Cn1ccc(=O)cc1
InChIInChI=1S/C14H17N3O/c1-2-7-15-14-12(4-3-8-16-14)11-17-9-5-13(18)6-10-17/h3-6,8-10H,2,7,11H2,1H3,(H,15,16)
InChIKeyHTNNFHPOQMRWEZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.11
Rot. Bonds5

About 1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one

1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one (PubChem CID 62880693) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one
PubChem CID62880693
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one
SMILESCCCNc1ncccc1Cn1ccc(=O)cc1
InChIInChI=1S/C14H17N3O/c1-2-7-15-14-12(4-3-8-16-14)11-17-9-5-13(18)6-10-17/h3-6,8-10H,2,7,11H2,1H3,(H,15,16)
InChIKeyHTNNFHPOQMRWEZ-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 79181550
1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione
CID 62927533
1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
CID 55075292
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469718
4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one
CID 62464559
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one
CID 55075717
1-[(2-chloro-3-pyridinyl)methyl]pyridin-4-one
CID 62879655
2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one
CID 55126780
2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936826
3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075387

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one?
The IUPAC name of 1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one (CID 62880693) is 1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one.
What is the SMILES notation for 1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one?
The canonical SMILES for 1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one is CCCNc1ncccc1Cn1ccc(=O)cc1.
What is the InChIKey of 1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one?
The InChIKey is HTNNFHPOQMRWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-7-15-14-12(4-3-8-16-14)11-17-9-5-13(18)6-10-17/h3-6,8-10H,2,7,11H2,1H3,(H,15,16).
What are the key properties of 1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one?
1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one has a molecular weight of 243.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one is sourced from PubChem (CID 62880693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).