N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide

C20H23ClN2O3 — CID 151770531

IUPACN-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)COc1cc(OCCCC(C)C)c(Cl)cc1-2
InChIInChI=1S/C20H23ClN2O3/c1-12(2)5-4-6-25-19-9-18-16(7-17(19)21)15-8-20(23-13(3)24)22-10-14(15)11-26-18/h7-10,12H,4-6,11H2,1-3H3,(H,22,23,24)
InChIKeyRSMHEPGMHPYRJS-UHFFFAOYSA-N
MW374.87 g/mol
LogP5.07
Rot. Bonds6

About N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide

N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide (PubChem CID 151770531) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
PubChem CID151770531
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)COc1cc(OCCCC(C)C)c(Cl)cc1-2
InChIInChI=1S/C20H23ClN2O3/c1-12(2)5-4-6-25-19-9-18-16(7-17(19)21)15-8-20(23-13(3)24)22-10-14(15)11-26-18/h7-10,12H,4-6,11H2,1-3H3,(H,22,23,24)
InChIKeyRSMHEPGMHPYRJS-UHFFFAOYSA-N
XLogP5.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide 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-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
CID 144806665
propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
CID 130389284
methyl N-[8-[(2S)-2-amino-2,4-dimethylpentoxy]-9-fluoro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
CID 122449352
N-[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134324046
N-[8-[(2R)-2-amino-2,4-dimethylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134520651
N-[8-[(2S)-2-amino-2,4-dimethylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134520625
8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine
CID 130389266
ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
CID 144806668
9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine
CID 138650721
[(2S)-1-[(2-acetamido-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-yl]-tert-butylcarbamic acid
CID 138617301
tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate
CID 86724451
[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-2-yl]carbamic acid
CID 134324061

Frequently Asked Questions

What is the IUPAC name of N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide (CID 151770531) is N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide is CC(=O)Nc1cc2c(cn1)COc1cc(OCCCC(C)C)c(Cl)cc1-2.
What is the InChIKey of N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
The InChIKey is RSMHEPGMHPYRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-12(2)5-4-6-25-19-9-18-16(7-17(19)21)15-8-20(23-13(3)24)22-10-14(15)11-26-18/h7-10,12H,4-6,11H2,1-3H3,(H,22,23,24).
What are the key properties of N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 151770531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).