2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid

C15H14N2O3 — CID 60716381

IUPAC2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCOc3ccccc32)c1
InChIInChI=1S/C15H14N2O3/c18-15(19)10-5-7-16-14(9-10)17-12-6-8-20-13-4-2-1-3-11(12)13/h1-5,7,9,12H,6,8H2,(H,16,17)(H,18,19)
InChIKeyYYXJGKVIHNIXLW-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.72
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid

2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid (PubChem CID 60716381) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid
PubChem CID60716381
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCOc3ccccc32)c1
InChIInChI=1S/C15H14N2O3/c18-15(19)10-5-7-16-14(9-10)17-12-6-8-20-13-4-2-1-3-11(12)13/h1-5,7,9,12H,6,8H2,(H,16,17)(H,18,19)
InChIKeyYYXJGKVIHNIXLW-UHFFFAOYSA-N
XLogP2.72
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62365931
5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid
CID 62366449
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine
CID 94158654
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-(3,4-dihydro-2H-chromen-4-yl)-2-hydrazinylpyridin-4-amine
CID 113368245
N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine
CID 108774219
2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 43610330
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80827015
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide
CID 175227622
2-amino-5-(3,4-dihydro-2H-chromen-4-ylamino)benzoic acid
CID 62365403
1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone
CID 115577788
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087861

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid (CID 60716381) is 2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NC2CCOc3ccccc32)c1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid?
The InChIKey is YYXJGKVIHNIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(19)10-5-7-16-14(9-10)17-12-6-8-20-13-4-2-1-3-11(12)13/h1-5,7,9,12H,6,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid?
2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 60716381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).