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

C16H13N3O2 — CID 78320118

IUPACN-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide
SMILESN#CCCC(=O)Nc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C16H13N3O2/c17-6-1-2-16(20)19-12-3-4-14-13-5-7-18-9-11(13)10-21-15(14)8-12/h3-5,7-9H,1-2,10H2,(H,19,20)
InChIKeyVQQRHXHRMOUIMI-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.88
Rot. Bonds3

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

N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide (PubChem CID 78320118) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide.

Molecular Properties

Compound NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide
PubChem CID78320118
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide
SMILESN#CCCC(=O)Nc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C16H13N3O2/c17-6-1-2-16(20)19-12-3-4-14-13-5-7-18-9-11(13)10-21-15(14)8-12/h3-5,7-9H,1-2,10H2,(H,19,20)
InChIKeyVQQRHXHRMOUIMI-UHFFFAOYSA-N
XLogP2.88
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-phenylacetamide
CID 121363957
N-(5H-chromeno[3,4-c]pyridin-8-yl)acetamide
CID 78320119
N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide
CID 90466526
N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide
CID 121363949
tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
CID 90357824
3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 115173560
2-amino-N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-phenylacetamide
CID 90357812
N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-fluorobenzamide
CID 121363974
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 115173480
N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363595
N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 121363922
N-[(4-chlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363663

Frequently Asked Questions

What is the IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide?
The IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide (CID 78320118) is N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide.
What is the SMILES notation for N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide?
The canonical SMILES for N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide is N#CCCC(=O)Nc1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide?
The InChIKey is VQQRHXHRMOUIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-6-1-2-16(20)19-12-3-4-14-13-5-7-18-9-11(13)10-21-15(14)8-12/h3-5,7-9H,1-2,10H2,(H,19,20).
What are the key properties of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide?
N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide has a molecular weight of 279.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide is sourced from PubChem (CID 78320118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).