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

C16H13N3O2 — CID 63719488

IUPAC5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NC2CCOc3ccccc32)nc1
InChIInChI=1S/C16H13N3O2/c17-9-11-5-6-14(18-10-11)16(20)19-13-7-8-21-15-4-2-1-3-12(13)15/h1-6,10,13H,7-8H2,(H,19,20)
InChIKeyJFYKSUPTHAJJQV-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.21
Rot. Bonds2

About 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide

5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide (PubChem CID 63719488) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide
PubChem CID63719488
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NC2CCOc3ccccc32)nc1
InChIInChI=1S/C16H13N3O2/c17-9-11-5-6-14(18-10-11)16(20)19-13-7-8-21-15-4-2-1-3-12(13)15/h1-6,10,13H,7-8H2,(H,19,20)
InChIKeyJFYKSUPTHAJJQV-UHFFFAOYSA-N
XLogP2.21
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 16600536
N-(3,4-dihydro-2H-chromen-4-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375415
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30602468
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
CID 94179713
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572299
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide
CID 106443960
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide (CID 63719488) is 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide is N#Cc1ccc(C(=O)NC2CCOc3ccccc32)nc1.
What is the InChIKey of 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide?
The InChIKey is JFYKSUPTHAJJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-9-11-5-6-14(18-10-11)16(20)19-13-7-8-21-15-4-2-1-3-12(13)15/h1-6,10,13H,7-8H2,(H,19,20).
What are the key properties of 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide?
5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 63719488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).