6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile

C14H13N3O2 — CID 64590042

IUPAC6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
SMILESCOc1cc(Nc2cccc(C#N)n2)cc(OC)c1
InChIInChI=1S/C14H13N3O2/c1-18-12-6-11(7-13(8-12)19-2)17-14-5-3-4-10(9-15)16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyRLCYRWNUNKFUON-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.71
Rot. Bonds4

About 6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile

6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile (PubChem CID 64590042) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
PubChem CID64590042
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
SMILESCOc1cc(Nc2cccc(C#N)n2)cc(OC)c1
InChIInChI=1S/C14H13N3O2/c1-18-12-6-11(7-13(8-12)19-2)17-14-5-3-4-10(9-15)16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyRLCYRWNUNKFUON-UHFFFAOYSA-N
XLogP2.71
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 64590247
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
CID 133392173
2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 83072934
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
6-(pyrimidin-5-ylamino)pyridine-2-carbonitrile
CID 107588709
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431
6-(quinolin-3-ylamino)pyridine-2-carbonitrile
CID 64595711
methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate
CID 133416630
2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543373

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile (CID 64590042) is 6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile is COc1cc(Nc2cccc(C#N)n2)cc(OC)c1.
What is the InChIKey of 6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile?
The InChIKey is RLCYRWNUNKFUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-12-6-11(7-13(8-12)19-2)17-14-5-3-4-10(9-15)16-14/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile?
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 64590042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).