N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide

C15H14N2O3 — CID 94466647

IUPACN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1COc2ccccc2C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H14N2O3/c18-14-6-5-11(8-16-14)15(19)17-12-7-10-3-1-2-4-13(10)20-9-12/h1-6,8,12H,7,9H2,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyRGVZKIJYFZBAPN-LBPRGKRZSA-N
MW270.29 g/mol
LogP1.11
Rot. Bonds2

About N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 94466647) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID94466647
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1COc2ccccc2C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H14N2O3/c18-14-6-5-11(8-16-14)15(19)17-12-7-10-3-1-2-4-13(10)20-9-12/h1-6,8,12H,7,9H2,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyRGVZKIJYFZBAPN-LBPRGKRZSA-N
XLogP1.11
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511
N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70739420
N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154758238
N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 63361586
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 126446922
2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid
CID 97233703
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide
CID 94066552
(4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide
CID 97083464

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 94466647) is N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide is O=C(N[C@@H]1COc2ccccc2C1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RGVZKIJYFZBAPN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14-6-5-11(8-16-14)15(19)17-12-7-10-3-1-2-4-13(10)20-9-12/h1-6,8,12H,7,9H2,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 94466647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).