1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea

C18H24N4O — CID 113037388

IUPAC1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCCN(c1ccc(NC(=O)NC(C)C)nc1)c1cccc(C)c1
InChIInChI=1S/C18H24N4O/c1-5-22(15-8-6-7-14(4)11-15)16-9-10-17(19-12-16)21-18(23)20-13(2)3/h6-13H,5H2,1-4H3,(H2,19,20,21,23)
InChIKeyNYFVNLBSGWYYQT-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.08
Rot. Bonds5

About 1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea

1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea (PubChem CID 113037388) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
PubChem CID113037388
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCCN(c1ccc(NC(=O)NC(C)C)nc1)c1cccc(C)c1
InChIInChI=1S/C18H24N4O/c1-5-22(15-8-6-7-14(4)11-15)16-9-10-17(19-12-16)21-18(23)20-13(2)3/h6-13H,5H2,1-4H3,(H2,19,20,21,23)
InChIKeyNYFVNLBSGWYYQT-UHFFFAOYSA-N
XLogP4.08
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-(N-ethyl-3-methylanilino)-2-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

2-amino-N-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]propanamide
CID 82034854
N-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113037354
N-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-2-phenylacetamide
CID 113037370
1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113029739
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109247056
1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113031703
5-(N-ethyl-3-methylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181194
N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63550784
N-tert-butyl-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109195162
1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
CID 113036973
N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109200389
N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109186079

Frequently Asked Questions

What is the IUPAC name of 1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea (CID 113037388) is 1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea is CCN(c1ccc(NC(=O)NC(C)C)nc1)c1cccc(C)c1.
What is the InChIKey of 1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea?
The InChIKey is NYFVNLBSGWYYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-22(15-8-6-7-14(4)11-15)16-9-10-17(19-12-16)21-18(23)20-13(2)3/h6-13H,5H2,1-4H3,(H2,19,20,21,23).
What are the key properties of 1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea?
1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea has a molecular weight of 312.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113037388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).