1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea

C18H14N6O — CID 154724914

IUPAC1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea
SMILESN#Cc1ccc(Nc2cncc(NC(=O)Nc3ccccc3)c2)nc1
InChIInChI=1S/C18H14N6O/c19-9-13-6-7-17(21-10-13)22-15-8-16(12-20-11-15)24-18(25)23-14-4-2-1-3-5-14/h1-8,10-12H,(H,21,22)(H2,23,24,25)
InChIKeyKQTCRCYSNJFLPT-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.74
Rot. Bonds4

About 1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea

1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea (PubChem CID 154724914) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea
PubChem CID154724914
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea
SMILESN#Cc1ccc(Nc2cncc(NC(=O)Nc3ccccc3)c2)nc1
InChIInChI=1S/C18H14N6O/c19-9-13-6-7-17(21-10-13)22-15-8-16(12-20-11-15)24-18(25)23-14-4-2-1-3-5-14/h1-8,10-12H,(H,21,22)(H2,23,24,25)
InChIKeyKQTCRCYSNJFLPT-UHFFFAOYSA-N
XLogP3.74
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea
CID 154726258
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
phenyl N-(5-cyano-2-pyridinyl)carbamate
CID 57469773
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
CID 113019226
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea
CID 154725535
1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea (CID 154724914) is 1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea is N#Cc1ccc(Nc2cncc(NC(=O)Nc3ccccc3)c2)nc1.
What is the InChIKey of 1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea?
The InChIKey is KQTCRCYSNJFLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c19-9-13-6-7-17(21-10-13)22-15-8-16(12-20-11-15)24-18(25)23-14-4-2-1-3-5-14/h1-8,10-12H,(H,21,22)(H2,23,24,25).
What are the key properties of 1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea?
1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea has a molecular weight of 330.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 154724914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).