1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea

C18H24N4O — CID 113012624

IUPAC1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)NC(C)C)cn1
InChIInChI=1S/C18H24N4O/c1-4-22(13-15-8-6-5-7-9-15)17-11-10-16(12-19-17)21-18(23)20-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,20,21,23)
InChIKeyDJCYXITYUOJHNO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.64
Rot. Bonds6

About 1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea

1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea (PubChem CID 113012624) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
PubChem CID113012624
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)NC(C)C)cn1
InChIInChI=1S/C18H24N4O/c1-4-22(13-15-8-6-5-7-9-15)17-11-10-16(12-19-17)21-18(23)20-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,20,21,23)
InChIKeyDJCYXITYUOJHNO-UHFFFAOYSA-N
XLogP3.64
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea 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

N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566
2-amino-N-[6-[benzyl(ethyl)amino]-3-pyridinyl]acetamide
CID 39181885
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide
CID 113012579
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113012586
(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride
CID 119845900
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109157548
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992

Frequently Asked Questions

What is the IUPAC name of 1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea (CID 113012624) is 1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea is CCN(Cc1ccccc1)c1ccc(NC(=O)NC(C)C)cn1.
What is the InChIKey of 1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea?
The InChIKey is DJCYXITYUOJHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22(13-15-8-6-5-7-9-15)17-11-10-16(12-19-17)21-18(23)20-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea?
1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea has a molecular weight of 312.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113012624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).