6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide

C19H18ClN3O3 — CID 51132475

IUPAC6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)CNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C19H18ClN3O3/c1-23(11-13-3-2-6-21-9-13)18(24)10-22-19(25)15-7-14-8-16(20)4-5-17(14)26-12-15/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyWVSPEAFVCGPENS-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.29
Rot. Bonds5

About 6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide

6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide (PubChem CID 51132475) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide
PubChem CID51132475
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)CNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C19H18ClN3O3/c1-23(11-13-3-2-6-21-9-13)18(24)10-22-19(25)15-7-14-8-16(20)4-5-17(14)26-12-15/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyWVSPEAFVCGPENS-UHFFFAOYSA-N
XLogP2.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide
CID 86911414
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 75380208
N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
CID 115594500
N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 110743929
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 47013906
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide
CID 51257741
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide
CID 22578485
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide (CID 51132475) is 6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide is CN(Cc1cccnc1)C(=O)CNC(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide?
The InChIKey is WVSPEAFVCGPENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-23(11-13-3-2-6-21-9-13)18(24)10-22-19(25)15-7-14-8-16(20)4-5-17(14)26-12-15/h2-9H,10-12H2,1H3,(H,22,25).
What are the key properties of 6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide?
6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 51132475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).