1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea

C19H15N5O — CID 113037197

IUPAC1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
SMILESN#Cc1cccc(Nc2ccc(NC(=O)Nc3ccccc3)nc2)c1
InChIInChI=1S/C19H15N5O/c20-12-14-5-4-8-16(11-14)22-17-9-10-18(21-13-17)24-19(25)23-15-6-2-1-3-7-15/h1-11,13,22H,(H2,21,23,24,25)
InChIKeyYGMYIULGRPMYSO-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.34
Rot. Bonds4

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

1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea (PubChem CID 113037197) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
PubChem CID113037197
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
SMILESN#Cc1cccc(Nc2ccc(NC(=O)Nc3ccccc3)nc2)c1
InChIInChI=1S/C19H15N5O/c20-12-14-5-4-8-16(11-14)22-17-9-10-18(21-13-17)24-19(25)23-15-6-2-1-3-7-15/h1-11,13,22H,(H2,21,23,24,25)
InChIKeyYGMYIULGRPMYSO-UHFFFAOYSA-N
XLogP4.34
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113037188
tert-butyl N-[5-(3-cyanoanilino)-2-pyridinyl]carbamate
CID 113037201
N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037150
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181
N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113037203
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea
CID 154724914
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea (CID 113037197) is 1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea is N#Cc1cccc(Nc2ccc(NC(=O)Nc3ccccc3)nc2)c1.
What is the InChIKey of 1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea?
The InChIKey is YGMYIULGRPMYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-12-14-5-4-8-16(11-14)22-17-9-10-18(21-13-17)24-19(25)23-15-6-2-1-3-7-15/h1-11,13,22H,(H2,21,23,24,25).
What are the key properties of 1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea?
1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea has a molecular weight of 329.36 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea is sourced from PubChem (CID 113037197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).