1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea

C16H19ClN4O — CID 113027295

IUPAC1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H19ClN4O/c1-11(2)20-16(22)21-15-8-7-14(10-19-15)18-9-12-3-5-13(17)6-4-12/h3-8,10-11,18H,9H2,1-2H3,(H2,19,20,21,22)
InChIKeyDAEJXCBIMGISML-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.88
Rot. Bonds5

About 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea

1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea (PubChem CID 113027295) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
PubChem CID113027295
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H19ClN4O/c1-11(2)20-16(22)21-15-8-7-14(10-19-15)18-9-12-3-5-13(17)6-4-12/h3-8,10-11,18H,9H2,1-2H3,(H2,19,20,21,22)
InChIKeyDAEJXCBIMGISML-UHFFFAOYSA-N
XLogP3.88
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea
CID 113027296
3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide
CID 82034183
1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012952
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113036774
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
CID 113027073
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea (CID 113027295) is 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea?
The InChIKey is DAEJXCBIMGISML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11(2)20-16(22)21-15-8-7-14(10-19-15)18-9-12-3-5-13(17)6-4-12/h3-8,10-11,18H,9H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea?
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea has a molecular weight of 318.81 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113027295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).