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

C23H27N3O4 — CID 155705127

IUPAC2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate
SMILESCCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3cccnc3)c(=O)oc2c1
InChIInChI=1S/C23H27N3O4/c1-4-26(5-2)18-8-9-19-16(3)20(22(27)30-21(19)13-18)10-12-29-23(28)25-15-17-7-6-11-24-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H,25,28)
InChIKeyVRDPHEDNYCIAEF-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.81
Rot. Bonds8

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

2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate (PubChem CID 155705127) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Name2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate
PubChem CID155705127
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate
SMILESCCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3cccnc3)c(=O)oc2c1
InChIInChI=1S/C23H27N3O4/c1-4-26(5-2)18-8-9-19-16(3)20(22(27)30-21(19)13-18)10-12-29-23(28)25-15-17-7-6-11-24-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H,25,28)
InChIKeyVRDPHEDNYCIAEF-UHFFFAOYSA-N
XLogP3.81
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate 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-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea
CID 162624760
N-(4-methyl-2-oxo-2H-chromen-7-yl)-N'-(3-pyridinylmethyl)thiourea
CID 971374
1-[2-[7-(Diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(isoquinolin-4-ylmethyl)urea
CID 155169446
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
2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
CID 2161248
N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)acetamide
CID 118735163
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-methyl-N-(2-pyridin-3-ylethyl)carbamate
CID 155169381
1-[2-[7-(Diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(2-pyridin-3-ylethyl)urea
CID 155169425
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(2-pyridin-3-ylethyl)carbamate
CID 155705105
N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide
CID 164804517
2-[[4-Hydroxy-1-[[6-(2-methylphenoxy)-3-pyridinyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73053163

Frequently Asked Questions

What is the IUPAC name of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate?
The IUPAC name of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate (CID 155705127) is 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate?
The canonical SMILES for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate is CCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3cccnc3)c(=O)oc2c1.
What is the InChIKey of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate?
The InChIKey is VRDPHEDNYCIAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-4-26(5-2)18-8-9-19-16(3)20(22(27)30-21(19)13-18)10-12-29-23(28)25-15-17-7-6-11-24-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H,25,28).
What are the key properties of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate?
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate has a molecular weight of 409.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 155705127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).