1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea

C23H28N4O3 — CID 162624760

IUPAC1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
SMILESCCN(CC)c1ccc2c(C)c(CCNC(=O)NCc3cccnc3)c(=O)oc2c1
InChIInChI=1S/C23H28N4O3/c1-4-27(5-2)18-8-9-19-16(3)20(22(28)30-21(19)13-18)10-12-25-23(29)26-15-17-7-6-11-24-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H2,25,26,29)
InChIKeyWLXNTQQMVXKPGD-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.38
Rot. Bonds8

About 1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea

1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 162624760) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID162624760
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
SMILESCCN(CC)c1ccc2c(C)c(CCNC(=O)NCc3cccnc3)c(=O)oc2c1
InChIInChI=1S/C23H28N4O3/c1-4-27(5-2)18-8-9-19-16(3)20(22(28)30-21(19)13-18)10-12-25-23(29)26-15-17-7-6-11-24-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H2,25,26,29)
InChIKeyWLXNTQQMVXKPGD-UHFFFAOYSA-N
XLogP3.38
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)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

4-Methyl-7-({[(3-pyridylmethyl)amino]thioxomethyl}amino)chromen-2-one
CID 971374
1-[2-[7-(Diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(isoquinolin-4-ylmethyl)urea
CID 155169446
3-[2-[7-(Diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-pyridin-3-ylsulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 155169660
3-Acetyl-4-methyl-7-[(4-pyridin-3-ylpyrimidin-2-yl)amino]chromen-2-one
CID 155677550
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate
CID 155705127
3-[2-[7-(Diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-pyrimidin-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 164612611
3-[2-[7-(Diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 164612752
3-[2-[7-(Diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
CID 164614270
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(5-acetamido-3-pyridinyl)methyl]carbamate
CID 164627054
3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide
CID 167146062
7-(diethylamino)-2-oxo-N-(pyridin-2-yl)-2H-chromene-3-carboxamide
CID 658314
2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
CID 2161248

Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea (CID 162624760) is 1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea is CCN(CC)c1ccc2c(C)c(CCNC(=O)NCc3cccnc3)c(=O)oc2c1.
What is the InChIKey of 1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is WLXNTQQMVXKPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-27(5-2)18-8-9-19-16(3)20(22(28)30-21(19)13-18)10-12-25-23(29)26-15-17-7-6-11-24-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H2,25,26,29).
What are the key properties of 1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea?
1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 408.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 162624760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).