4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile

C14H13N3O — CID 114480892

IUPAC4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Cn1cccc(N)c1=O
InChIInChI=1S/C14H13N3O/c1-10-7-11(8-15)4-5-12(10)9-17-6-2-3-13(16)14(17)18/h2-7H,9,16H2,1H3
InChIKeyFHSWZJZIVGFAGM-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.66
Rot. Bonds2

About 4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile

4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile (PubChem CID 114480892) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
PubChem CID114480892
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Cn1cccc(N)c1=O
InChIInChI=1S/C14H13N3O/c1-10-7-11(8-15)4-5-12(10)9-17-6-2-3-13(16)14(17)18/h2-7H,9,16H2,1H3
InChIKeyFHSWZJZIVGFAGM-UHFFFAOYSA-N
XLogP1.66
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
CID 114761409
4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
CID 114480903
3-methyl-4-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
CID 114485997
4-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]-3-methylbenzonitrile
CID 114485920
4-[(5-amino-4-chloro-6-oxopyrimidin-1-yl)methyl]-3-methylbenzonitrile
CID 114582875
4-[(6-aminoindol-1-yl)methyl]-3-methylbenzonitrile
CID 114480884
4-[[2-[1-(ethylamino)ethyl]pyrrol-1-yl]methyl]-3-methylbenzonitrile
CID 114485043
4-[(2,4-dioxoimidazolidin-1-yl)methyl]-3-methylbenzonitrile
CID 114486009
4-[(2,6-dioxopiperidin-1-yl)methyl]-3-methylbenzonitrile
CID 114481351
4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylbenzonitrile
CID 114481321
4-[(2-aminophenyl)sulfinylmethyl]-3-methylbenzonitrile
CID 114485215
4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide
CID 107345349

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile?
The IUPAC name of 4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile (CID 114480892) is 4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1Cn1cccc(N)c1=O.
What is the InChIKey of 4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile?
The InChIKey is FHSWZJZIVGFAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-7-11(8-15)4-5-12(10)9-17-6-2-3-13(16)14(17)18/h2-7H,9,16H2,1H3.
What are the key properties of 4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile?
4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile is sourced from PubChem (CID 114480892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).