2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile

C14H12ClN3O — CID 1474323

IUPAC2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(NCc2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C14H12ClN3O/c1-19-13-6-7-17-14(12(13)8-16)18-9-10-2-4-11(15)5-3-10/h2-7H,9H2,1H3,(H,17,18)
InChIKeyHEIZQPUDKJHMJB-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.23
Rot. Bonds4

About 2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile

2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile (PubChem CID 1474323) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile
PubChem CID1474323
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(NCc2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C14H12ClN3O/c1-19-13-6-7-17-14(12(13)8-16)18-9-10-2-4-11(15)5-3-10/h2-7H,9H2,1H3,(H,17,18)
InChIKeyHEIZQPUDKJHMJB-UHFFFAOYSA-N
XLogP3.23
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile (CID 1474323) is 2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile is COc1ccnc(NCc2ccc(Cl)cc2)c1C#N.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile?
The InChIKey is HEIZQPUDKJHMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-13-6-7-17-14(12(13)8-16)18-9-10-2-4-11(15)5-3-10/h2-7H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile?
2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 1474323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).