N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C17H15N5O2 — CID 51087861

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C17H15N5O2/c23-17(12-5-7-19-16(9-12)22-11-18-10-20-22)21-14-6-8-24-15-4-2-1-3-13(14)15/h1-5,7,9-11,14H,6,8H2,(H,21,23)
InChIKeyQFEWSLFHQWQVNG-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.92
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 51087861) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID51087861
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C17H15N5O2/c23-17(12-5-7-19-16(9-12)22-11-18-10-20-22)21-14-6-8-24-15-4-2-1-3-13(14)15/h1-5,7,9-11,14H,6,8H2,(H,21,23)
InChIKeyQFEWSLFHQWQVNG-UHFFFAOYSA-N
XLogP1.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-(3,4-dihydro-2H-chromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62365931
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94018271
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide
CID 39952228
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31336256
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94571765
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 71987124
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31339166

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 51087861) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(NC1CCOc2ccccc21)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is QFEWSLFHQWQVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-17(12-5-7-19-16(9-12)22-11-18-10-20-22)21-14-6-8-24-15-4-2-1-3-13(14)15/h1-5,7,9-11,14H,6,8H2,(H,21,23).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 51087861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).