N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide

C17H14N2O4 — CID 37486429

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide
SMILESCOc1ncccc1CNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H14N2O4/c1-22-16-12(6-4-8-18-16)10-19-15(20)13-9-11-5-2-3-7-14(11)23-17(13)21/h2-9H,10H2,1H3,(H,19,20)
InChIKeyKPNHCERUJIFWKV-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.13
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide

N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 37486429) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide
PubChem CID37486429
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide
SMILESCOc1ncccc1CNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H14N2O4/c1-22-16-12(6-4-8-18-16)10-19-15(20)13-9-11-5-2-3-7-14(11)23-17(13)21/h2-9H,10H2,1H3,(H,19,20)
InChIKeyKPNHCERUJIFWKV-UHFFFAOYSA-N
XLogP2.13
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide
CID 91816022
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-oxochromene-3-carboxamide
CID 122262283
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
methyl N-[4-[[(2-oxochromene-3-carbonyl)amino]methyl]phenyl]carbamate
CID 47058004
2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide
CID 18121330
2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
CID 121165322
2-oxo-N-(quinolin-2-ylmethyl)chromene-3-carboxamide
CID 110745561

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide (CID 37486429) is N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide is COc1ncccc1CNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is KPNHCERUJIFWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-16-12(6-4-8-18-16)10-19-15(20)13-9-11-5-2-3-7-14(11)23-17(13)21/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide?
N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 37486429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).