N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide

C17H12N4O2 — CID 121363949

IUPACN-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCc1cnccc1-2)c1cncnc1
InChIInChI=1S/C17H12N4O2/c22-17(11-6-19-10-20-7-11)21-13-1-2-15-14-3-4-18-8-12(14)9-23-16(15)5-13/h1-8,10H,9H2,(H,21,22)
InChIKeyFRHQIKWHIGBMEY-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.68
Rot. Bonds2

About N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide

N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide (PubChem CID 121363949) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide
PubChem CID121363949
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC NameN-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCc1cnccc1-2)c1cncnc1
InChIInChI=1S/C17H12N4O2/c22-17(11-6-19-10-20-7-11)21-13-1-2-15-14-3-4-18-8-12(14)9-23-16(15)5-13/h1-8,10H,9H2,(H,21,22)
InChIKeyFRHQIKWHIGBMEY-UHFFFAOYSA-N
XLogP2.68
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5H-chromeno[3,4-c]pyridin-8-yl)acetamide
CID 78320119
N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-fluorobenzamide
CID 121363974
N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-phenylacetamide
CID 121363957
2-amino-N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-phenylacetamide
CID 90357812
N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 121363922
N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide
CID 90466526
N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363835
N-[(4-chlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363663
N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide
CID 571616
N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363595
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363594
N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363730

Frequently Asked Questions

What is the IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide (CID 121363949) is N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide is O=C(Nc1ccc2c(c1)OCc1cnccc1-2)c1cncnc1.
What is the InChIKey of N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide?
The InChIKey is FRHQIKWHIGBMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-17(11-6-19-10-20-7-11)21-13-1-2-15-14-3-4-18-8-12(14)9-23-16(15)5-13/h1-8,10H,9H2,(H,21,22).
What are the key properties of N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide?
N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 121363949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).