7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide

C16H16N2O3 — CID 49158782

IUPAC7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)Nc1cccnc1)C2
InChIInChI=1S/C16H16N2O3/c1-20-14-5-4-11-7-12(10-21-15(11)8-14)16(19)18-13-3-2-6-17-9-13/h2-6,8-9,12H,7,10H2,1H3,(H,18,19)
InChIKeyGZXRWRCTAVFNQQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.28
Rot. Bonds3

About 7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide

7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 49158782) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID49158782
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)Nc1cccnc1)C2
InChIInChI=1S/C16H16N2O3/c1-20-14-5-4-11-7-12(10-21-15(11)8-14)16(19)18-13-3-2-6-17-9-13/h2-6,8-9,12H,7,10H2,1H3,(H,18,19)
InChIKeyGZXRWRCTAVFNQQ-UHFFFAOYSA-N
XLogP2.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 166255735
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
(3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050083
7-methoxy-N-(5-oxo-1,4-dihydroimidazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49263413
7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72885940
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823597
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823599
1-(2,5-dimethoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 46584301
(3S)-6-methoxy-N-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566182
methyl (3S)-3-[[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]butanoate
CID 95335885

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide (CID 49158782) is 7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OCC(C(=O)Nc1cccnc1)C2.
What is the InChIKey of 7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is GZXRWRCTAVFNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-14-5-4-11-7-12(10-21-15(11)8-14)16(19)18-13-3-2-6-17-9-13/h2-6,8-9,12H,7,10H2,1H3,(H,18,19).
What are the key properties of 7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide?
7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 49158782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).