1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea

C16H18ClN3O — CID 30259728

IUPAC1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea
SMILESCC[C@@H](NC(=O)NCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-2-15(13-5-7-14(17)8-6-13)20-16(21)19-11-12-4-3-9-18-10-12/h3-10,15H,2,11H2,1H3,(H2,19,20,21)/t15-/m1/s1
InChIKeyITZQTUHSNSZSCW-OAHLLOKOSA-N
MW303.79 g/mol
LogP3.69
Rot. Bonds5

About 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea

1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 30259728) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID30259728
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea
SMILESCC[C@@H](NC(=O)NCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-2-15(13-5-7-14(17)8-6-13)20-16(21)19-11-12-4-3-9-18-10-12/h3-10,15H,2,11H2,1H3,(H2,19,20,21)/t15-/m1/s1
InChIKeyITZQTUHSNSZSCW-OAHLLOKOSA-N
XLogP3.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea
CID 99840706
3-methyl-2-(pyridin-3-ylmethylcarbamoylamino)pentanoic acid
CID 4544659
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
CID 43204940
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
1-[1-(4-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014437
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 110296757
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide
CID 56932488
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
1-(1,3-benzothiazol-2-ylmethyl)-3-[1-(4-chlorophenyl)propyl]urea
CID 55502386
(2S)-2-[(4-chlorophenyl)carbamoylamino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348871
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea (CID 30259728) is 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea is CC[C@@H](NC(=O)NCc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is ITZQTUHSNSZSCW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-15(13-5-7-14(17)8-6-13)20-16(21)19-11-12-4-3-9-18-10-12/h3-10,15H,2,11H2,1H3,(H2,19,20,21)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea?
1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 303.79 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 30259728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).