1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea

C19H17ClN4O — CID 91817173

IUPAC1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NCc1cccnc1-c1cccnc1
InChIInChI=1S/C19H17ClN4O/c20-17-7-5-14(6-8-17)11-23-19(25)24-13-16-4-2-10-22-18(16)15-3-1-9-21-12-15/h1-10,12H,11,13H2,(H2,23,24,25)
InChIKeyPNMUUIWZUHFQMB-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.80
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea

1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea (PubChem CID 91817173) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea
PubChem CID91817173
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NCc1cccnc1-c1cccnc1
InChIInChI=1S/C19H17ClN4O/c20-17-7-5-14(6-8-17)11-23-19(25)24-13-16-4-2-10-22-18(16)15-3-1-9-21-12-15/h1-10,12H,11,13H2,(H2,23,24,25)
InChIKeyPNMUUIWZUHFQMB-UHFFFAOYSA-N
XLogP3.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
(E)-3-(2-chlorophenyl)-N-[(2-pyridin-3-yl-3-pyridinyl)methyl]prop-2-enamide
CID 117055104
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
1-(2,3-dichlorophenyl)-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]thiourea
CID 86082273
3-(4-methylsulfonylphenyl)-N-[(2-pyridin-3-yl-3-pyridinyl)methyl]propanamide
CID 91817157
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753
N-[(2-pyridin-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91817167
1-[(4-chlorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108899241
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
N-[(2-pyridin-3-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 121177590
2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91625896
(2-pyridin-3-yl-3-pyridinyl)methanamine
CID 19005903

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea (CID 91817173) is 1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea is O=C(NCc1ccc(Cl)cc1)NCc1cccnc1-c1cccnc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea?
The InChIKey is PNMUUIWZUHFQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-17-7-5-14(6-8-17)11-23-19(25)24-13-16-4-2-10-22-18(16)15-3-1-9-21-12-15/h1-10,12H,11,13H2,(H2,23,24,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea has a molecular weight of 352.83 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(2-pyridin-3-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 91817173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).