6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide

C17H15ClN2O2 — CID 86911414

IUPAC6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C17H15ClN2O2/c1-20(10-12-3-2-6-19-9-12)17(21)14-7-13-8-15(18)4-5-16(13)22-11-14/h2-9H,10-11H2,1H3
InChIKeyBRRWNMLEVSMMLI-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.17
Rot. Bonds3

About 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide

6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide (PubChem CID 86911414) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide
PubChem CID86911414
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C17H15ClN2O2/c1-20(10-12-3-2-6-19-9-12)17(21)14-7-13-8-15(18)4-5-16(13)22-11-14/h2-9H,10-11H2,1H3
InChIKeyBRRWNMLEVSMMLI-UHFFFAOYSA-N
XLogP3.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide
CID 51132475
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide
CID 51257741
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 47013906
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
2-[(6-chloro-2H-chromene-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346798
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate
CID 78884644
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2H-chromene-3-carboxamide
CID 154750928
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide (CID 86911414) is 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide is CN(Cc1cccnc1)C(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide?
The InChIKey is BRRWNMLEVSMMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-20(10-12-3-2-6-19-9-12)17(21)14-7-13-8-15(18)4-5-16(13)22-11-14/h2-9H,10-11H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide?
6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 86911414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).