6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C22H19ClN2O3 — CID 55804721

IUPAC6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc(OCc2cccnc2)c1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C22H19ClN2O3/c23-18-6-7-21-16(10-18)9-17(14-28-21)22(26)25-19-4-1-5-20(11-19)27-13-15-3-2-8-24-12-15/h1-8,10-12,17H,9,13-14H2,(H,25,26)
InChIKeyHWHRAPYOXUFWFI-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.50
Rot. Bonds5

About 6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 55804721) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID55804721
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc(OCc2cccnc2)c1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C22H19ClN2O3/c23-18-6-7-21-16(10-18)9-17(14-28-21)22(26)25-19-4-1-5-20(11-19)27-13-15-3-2-8-24-12-15/h1-8,10-12,17H,9,13-14H2,(H,25,26)
InChIKeyHWHRAPYOXUFWFI-UHFFFAOYSA-N
XLogP4.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55609725
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 119846154
6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17476770
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55483122
(3S)-6-chloro-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9088165
N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 55679062
(3R)-6-chloro-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99788038
(3R)-6-chloro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41095377
1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598
7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49158782
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846156

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 55804721) is 6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1cccc(OCc2cccnc2)c1)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is HWHRAPYOXUFWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-18-6-7-21-16(10-18)9-17(14-28-21)22(26)25-19-4-1-5-20(11-19)27-13-15-3-2-8-24-12-15/h1-8,10-12,17H,9,13-14H2,(H,25,26).
What are the key properties of 6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 55804721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).