2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide

C18H16N2O3 — CID 171388211

IUPAC2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
SMILESCC(Cc1cccnc1)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H16N2O3/c1-12(9-13-5-4-8-19-11-13)20-17(21)15-10-14-6-2-3-7-16(14)23-18(15)22/h2-8,10-12H,9H2,1H3,(H,20,21)
InChIKeySOEKUDRRTRYXPP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.55
Rot. Bonds4

About 2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide

2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide (PubChem CID 171388211) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
PubChem CID171388211
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
SMILESCC(Cc1cccnc1)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H16N2O3/c1-12(9-13-5-4-8-19-11-13)20-17(21)15-10-14-6-2-3-7-16(14)23-18(15)22/h2-8,10-12H,9H2,1H3,(H,20,21)
InChIKeySOEKUDRRTRYXPP-UHFFFAOYSA-N
XLogP2.55
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(1-pyridin-3-ylethyl)chromene-3-carboxamide
CID 18163014
2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide
CID 115661722
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
(2R)-2-[[(2S)-2-[(2-oxochromene-3-carbonyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 26794618
2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 171388806
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 124760447
N-[1-(4-ethylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 17326877
(2R)-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]pentanoic acid
CID 119363439
2-[(2-oxochromene-3-carbonyl)amino]butanoic acid
CID 43469616
2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 99927418
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide (CID 171388211) is 2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide is CC(Cc1cccnc1)NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide?
The InChIKey is SOEKUDRRTRYXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(9-13-5-4-8-19-11-13)20-17(21)15-10-14-6-2-3-7-16(14)23-18(15)22/h2-8,10-12H,9H2,1H3,(H,20,21).
What are the key properties of 2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide?
2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 171388211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).