N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H16N4O2S — CID 71899650

IUPACN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESN#Cc1c(NC(=O)c2cnc3ccccn3c2=O)sc2c1CCCCC2
InChIInChI=1S/C19H16N4O2S/c20-10-13-12-6-2-1-3-7-15(12)26-18(13)22-17(24)14-11-21-16-8-4-5-9-23(16)19(14)25/h4-5,8-9,11H,1-3,6-7H2,(H,22,24)
InChIKeySZLQVXJVFBIEAC-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.15
Rot. Bonds2

About N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71899650) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID71899650
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESN#Cc1c(NC(=O)c2cnc3ccccn3c2=O)sc2c1CCCCC2
InChIInChI=1S/C19H16N4O2S/c20-10-13-12-6-2-1-3-7-15(12)26-18(13)22-17(24)14-11-21-16-8-4-5-9-23(16)19(14)25/h4-5,8-9,11H,1-3,6-7H2,(H,22,24)
InChIKeySZLQVXJVFBIEAC-UHFFFAOYSA-N
XLogP3.15
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[3-(4-methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 112809145
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2229662
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methoxybenzamide
CID 2175832
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-methoxybenzamide
CID 4155584
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide;hydrate
CID 16760525
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)naphthalene-2-carboxamide
CID 962559
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169238
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-ethylsulfonylbenzamide
CID 7295162
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)naphthalene-1-carboxamide
CID 924830
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylsulfanylbenzamide
CID 7565003

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 71899650) is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is N#Cc1c(NC(=O)c2cnc3ccccn3c2=O)sc2c1CCCCC2.
What is the InChIKey of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SZLQVXJVFBIEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c20-10-13-12-6-2-1-3-7-15(12)26-18(13)22-17(24)14-11-21-16-8-4-5-9-23(16)19(14)25/h4-5,8-9,11H,1-3,6-7H2,(H,22,24).
What are the key properties of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71899650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).