1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea

C14H12N4O2 — CID 62353543

IUPAC1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(C#N)cn2)c1
InChIInChI=1S/C14H12N4O2/c1-20-12-4-2-3-11(7-12)17-14(19)18-13-6-5-10(8-15)9-16-13/h2-7,9H,1H3,(H2,16,17,18,19)
InChIKeyBQRVOQITVKONLO-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.61
Rot. Bonds3

About 1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea

1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea (PubChem CID 62353543) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
PubChem CID62353543
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(C#N)cn2)c1
InChIInChI=1S/C14H12N4O2/c1-20-12-4-2-3-11(7-12)17-14(19)18-13-6-5-10(8-15)9-16-13/h2-7,9H,1H3,(H2,16,17,18,19)
InChIKeyBQRVOQITVKONLO-UHFFFAOYSA-N
XLogP2.61
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea
CID 62355150
1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814321
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 90603698
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
CID 105063451
N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide
CID 90237587
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea (CID 62353543) is 1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(C#N)cn2)c1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea?
The InChIKey is BQRVOQITVKONLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-20-12-4-2-3-11(7-12)17-14(19)18-13-6-5-10(8-15)9-16-13/h2-7,9H,1H3,(H2,16,17,18,19).
What are the key properties of 1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea?
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea has a molecular weight of 268.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 62353543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).