4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile

C20H17N3O2 — CID 1475663

IUPAC4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccnc(Nc2ccc(OCc3ccccc3)cc2)c1C#N
InChIInChI=1S/C20H17N3O2/c1-24-19-11-12-22-20(18(19)13-21)23-16-7-9-17(10-8-16)25-14-15-5-3-2-4-6-15/h2-12H,14H2,1H3,(H,22,23)
InChIKeyPPTLRLKMTBVJOG-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.28
Rot. Bonds6

About 4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile

4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile (PubChem CID 1475663) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile
PubChem CID1475663
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccnc(Nc2ccc(OCc3ccccc3)cc2)c1C#N
InChIInChI=1S/C20H17N3O2/c1-24-19-11-12-22-20(18(19)13-21)23-16-7-9-17(10-8-16)25-14-15-5-3-2-4-6-15/h2-12H,14H2,1H3,(H,22,23)
InChIKeyPPTLRLKMTBVJOG-UHFFFAOYSA-N
XLogP4.28
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-iodoanilino)-4-methoxypyridine-3-carbonitrile
CID 1475645
3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine
CID 70162528
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
4-N-(2-methoxyphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112904554
4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile
CID 1470943
4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile
CID 1470989
5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698116
4-methoxy-2-(3-nitroanilino)pyridine-3-carbonitrile
CID 1475651
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
CID 123516675
CID 123516675

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile (CID 1475663) is 4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile is COc1ccnc(Nc2ccc(OCc3ccccc3)cc2)c1C#N.
What is the InChIKey of 4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile?
The InChIKey is PPTLRLKMTBVJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-24-19-11-12-22-20(18(19)13-21)23-16-7-9-17(10-8-16)25-14-15-5-3-2-4-6-15/h2-12H,14H2,1H3,(H,22,23).
What are the key properties of 4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile?
4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile has a molecular weight of 331.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 1475663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).