N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide

C15H14N2O2 — CID 110751511

IUPACN-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1COc2ccccc2C1)c1cccnc1
InChIInChI=1S/C15H14N2O2/c18-15(12-5-3-7-16-9-12)17-13-8-11-4-1-2-6-14(11)19-10-13/h1-7,9,13H,8,10H2,(H,17,18)
InChIKeySGMMLDFRMORDDI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.82
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide

N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide (PubChem CID 110751511) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
PubChem CID110751511
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1COc2ccccc2C1)c1cccnc1
InChIInChI=1S/C15H14N2O2/c18-15(12-5-3-7-16-9-12)17-13-8-11-4-1-2-6-14(11)19-10-13/h1-7,9,13H,8,10H2,(H,17,18)
InChIKeySGMMLDFRMORDDI-UHFFFAOYSA-N
XLogP1.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide (CID 110751511) is N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide is O=C(NC1COc2ccccc2C1)c1cccnc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide?
The InChIKey is SGMMLDFRMORDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(12-5-3-7-16-9-12)17-13-8-11-4-1-2-6-14(11)19-10-13/h1-7,9,13H,8,10H2,(H,17,18).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide?
N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110751511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).