1-benzhydryl-3-pyridin-3-ylurea

C19H17N3O — CID 108864958

IUPAC1-benzhydryl-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O/c23-19(21-17-12-7-13-20-14-17)22-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,18H,(H2,21,22,23)
InChIKeyACKVSQKZMOZRIH-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.99
Rot. Bonds4

About 1-benzhydryl-3-pyridin-3-ylurea

1-benzhydryl-3-pyridin-3-ylurea (PubChem CID 108864958) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-benzhydryl-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-benzhydryl-3-pyridin-3-ylurea
PubChem CID108864958
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name1-benzhydryl-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O/c23-19(21-17-12-7-13-20-14-17)22-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,18H,(H2,21,22,23)
InChIKeyACKVSQKZMOZRIH-UHFFFAOYSA-N
XLogP3.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylurea
CID 52535419
(2S)-2-hydroxy-2-phenyl-N-pyridin-3-ylacetamide
CID 118541599
1-anilino-3-pyridin-3-ylurea
CID 47127655
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378
1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564893
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
(2S)-2-methoxy-2-phenyl-N-pyridin-3-ylacetamide
CID 51604927
4-methyl-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 61187819
1-[[3-fluoro-4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]methyl]-3-pyridin-3-ylurea
CID 89310504
(2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid
CID 851940
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-pyridin-3-ylurea?
The IUPAC name of 1-benzhydryl-3-pyridin-3-ylurea (CID 108864958) is 1-benzhydryl-3-pyridin-3-ylurea.
What is the SMILES notation for 1-benzhydryl-3-pyridin-3-ylurea?
The canonical SMILES for 1-benzhydryl-3-pyridin-3-ylurea is O=C(Nc1cccnc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-pyridin-3-ylurea?
The InChIKey is ACKVSQKZMOZRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(21-17-12-7-13-20-14-17)22-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,18H,(H2,21,22,23).
What are the key properties of 1-benzhydryl-3-pyridin-3-ylurea?
1-benzhydryl-3-pyridin-3-ylurea has a molecular weight of 303.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-pyridin-3-ylurea is sourced from PubChem (CID 108864958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).