(3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C17H17ClN2O4 — CID 124592184

IUPAC(3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)Nc1cc(Cl)c(=O)n(C)c1)CO2
InChIInChI=1S/C17H17ClN2O4/c1-20-8-12(7-14(18)17(20)22)19-16(21)11-5-10-6-13(23-2)3-4-15(10)24-9-11/h3-4,6-8,11H,5,9H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyDDCARVIYYQWHAF-NSHDSACASA-N
MW348.79 g/mol
LogP2.24
Rot. Bonds3

About (3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 124592184) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is (3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID124592184
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name(3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)Nc1cc(Cl)c(=O)n(C)c1)CO2
InChIInChI=1S/C17H17ClN2O4/c1-20-8-12(7-14(18)17(20)22)19-16(21)11-5-10-6-13(23-2)3-4-15(10)24-9-11/h3-4,6-8,11H,5,9H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyDDCARVIYYQWHAF-NSHDSACASA-N
XLogP2.24
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 112821465
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578278
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 156584796
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713276
N-(1-amino-2-methylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 119523565
2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-3-methylbutanoic acid
CID 119348268
N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 154966766

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 124592184) is (3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)C[C@H](C(=O)Nc1cc(Cl)c(=O)n(C)c1)CO2.
What is the InChIKey of (3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DDCARVIYYQWHAF-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-20-8-12(7-14(18)17(20)22)19-16(21)11-5-10-6-13(23-2)3-4-15(10)24-9-11/h3-4,6-8,11H,5,9H2,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 124592184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).