4-(3-methoxyanilino)pyridine-2-carbonitrile

C13H11N3O — CID 55157440

IUPAC4-(3-methoxyanilino)pyridine-2-carbonitrile
SMILESCOc1cccc(Nc2ccnc(C#N)c2)c1
InChIInChI=1S/C13H11N3O/c1-17-13-4-2-3-10(8-13)16-11-5-6-15-12(7-11)9-14/h2-8H,1H3,(H,15,16)
InChIKeyDHCNCOMSNATUCH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.71
Rot. Bonds3

About 4-(3-methoxyanilino)pyridine-2-carbonitrile

4-(3-methoxyanilino)pyridine-2-carbonitrile (PubChem CID 55157440) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(3-methoxyanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxyanilino)pyridine-2-carbonitrile
PubChem CID55157440
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-(3-methoxyanilino)pyridine-2-carbonitrile
SMILESCOc1cccc(Nc2ccnc(C#N)c2)c1
InChIInChI=1S/C13H11N3O/c1-17-13-4-2-3-10(8-13)16-11-5-6-15-12(7-11)9-14/h2-8H,1H3,(H,15,16)
InChIKeyDHCNCOMSNATUCH-UHFFFAOYSA-N
XLogP2.71
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile
CID 62926532
4-(3-ethylanilino)pyridine-2-carbonitrile
CID 62925653
3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033
4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
CID 62927039
2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383534
4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile
CID 62935538
4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile
CID 55156098
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 62926534
N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
CID 170189455
4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile
CID 62925124

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-methoxyanilino)pyridine-2-carbonitrile (CID 55157440) is 4-(3-methoxyanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-methoxyanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-methoxyanilino)pyridine-2-carbonitrile is COc1cccc(Nc2ccnc(C#N)c2)c1.
What is the InChIKey of 4-(3-methoxyanilino)pyridine-2-carbonitrile?
The InChIKey is DHCNCOMSNATUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-13-4-2-3-10(8-13)16-11-5-6-15-12(7-11)9-14/h2-8H,1H3,(H,15,16).
What are the key properties of 4-(3-methoxyanilino)pyridine-2-carbonitrile?
4-(3-methoxyanilino)pyridine-2-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 55157440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).