1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea

C15H19ClN4O — CID 75468741

IUPAC1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea
SMILESCC(NC(=O)N(C)Cc1cc(Cl)cn1C)c1cccnc1
InChIInChI=1S/C15H19ClN4O/c1-11(12-5-4-6-17-8-12)18-15(21)20(3)10-14-7-13(16)9-19(14)2/h4-9,11H,10H2,1-3H3,(H,18,21)
InChIKeyWXUSTKGXERZYNN-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.98
Rot. Bonds4

About 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea

1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea (PubChem CID 75468741) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea
PubChem CID75468741
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea
SMILESCC(NC(=O)N(C)Cc1cc(Cl)cn1C)c1cccnc1
InChIInChI=1S/C15H19ClN4O/c1-11(12-5-4-6-17-8-12)18-15(21)20(3)10-14-7-13(16)9-19(14)2/h4-9,11H,10H2,1-3H3,(H,18,21)
InChIKeyWXUSTKGXERZYNN-UHFFFAOYSA-N
XLogP2.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea
CID 97223585
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-[(2S)-2-(2-methoxyphenyl)propyl]-1-methylurea
CID 97223703
2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 125447432
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid
CID 63064912
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
1-[(3-chloro-4-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95307063
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea?
The IUPAC name of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea (CID 75468741) is 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea is CC(NC(=O)N(C)Cc1cc(Cl)cn1C)c1cccnc1.
What is the InChIKey of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea?
The InChIKey is WXUSTKGXERZYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11(12-5-4-6-17-8-12)18-15(21)20(3)10-14-7-13(16)9-19(14)2/h4-9,11H,10H2,1-3H3,(H,18,21).
What are the key properties of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea?
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea has a molecular weight of 306.80 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea is sourced from PubChem (CID 75468741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).