[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone

C13H13N3O — CID 116601966

IUPAC[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H13N3O/c1-9-2-4-15-8-12(9)13(17)10-3-5-16-11(6-10)7-14/h2-6,8H,7,14H2,1H3
InChIKeyXOVQSWSAJUKZBN-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.47
Rot. Bonds3

About [2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone

[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone (PubChem CID 116601966) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is [2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone
PubChem CID116601966
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H13N3O/c1-9-2-4-15-8-12(9)13(17)10-3-5-16-11(6-10)7-14/h2-6,8H,7,14H2,1H3
InChIKeyXOVQSWSAJUKZBN-UHFFFAOYSA-N
XLogP1.47
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone
CID 102839616
[2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone
CID 116601786
(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 114877527
(3-ethylphenyl)-(4-methyl-3-pyridinyl)methanone
CID 114877566
(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 114877477
(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 115781346
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone
CID 116601746
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone
CID 107288338
1-[2-(aminomethyl)-4-pyridinyl]-2-methylprop-2-en-1-one
CID 116601826
2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
CID 116601798

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone (CID 116601966) is [2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)c1ccnc(CN)c1.
What is the InChIKey of [2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone?
The InChIKey is XOVQSWSAJUKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-2-4-15-8-12(9)13(17)10-3-5-16-11(6-10)7-14/h2-6,8H,7,14H2,1H3.
What are the key properties of [2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone?
[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone has a molecular weight of 227.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116601966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).