3,3,4-tricyano-2H-pyran-4-carboxamide

C9H6N4O2 — CID 133064348

IUPAC3,3,4-tricyano-2H-pyran-4-carboxamide
SMILESN#CC1(C#N)COC=CC1(C#N)C(N)=O
InChIInChI=1S/C9H6N4O2/c10-3-8(4-11)6-15-2-1-9(8,5-12)7(13)14/h1-2H,6H2,(H2,13,14)
InChIKeyMRSGSTOZBFAAFU-UHFFFAOYSA-N
MW202.17 g/mol
LogP-0.44
Rot. Bonds1

About 3,3,4-tricyano-2H-pyran-4-carboxamide

3,3,4-tricyano-2H-pyran-4-carboxamide (PubChem CID 133064348) has the molecular formula C9H6N4O2 and a molecular weight of 202.17 g/mol. Its IUPAC name is 3,3,4-tricyano-2H-pyran-4-carboxamide.

Molecular Properties

Compound Name3,3,4-tricyano-2H-pyran-4-carboxamide
PubChem CID133064348
Molecular FormulaC9H6N4O2
Molecular Weight202.17 g/mol
Exact Mass202.05
IUPAC Name3,3,4-tricyano-2H-pyran-4-carboxamide
SMILESN#CC1(C#N)COC=CC1(C#N)C(N)=O
InChIInChI=1S/C9H6N4O2/c10-3-8(4-11)6-15-2-1-9(8,5-12)7(13)14/h1-2H,6H2,(H2,13,14)
InChIKeyMRSGSTOZBFAAFU-UHFFFAOYSA-N
XLogP-0.44
TPSA123.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 26412689
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1-cyano-2,2-difluorocyclopropane-1-carboxamide
CID 45084271
(1-cyanocyclopropyl)methyl carbamate
CID 141209968
cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide
CID 6932728
(1-cyano-3,3,5,5-tetramethylcyclohexyl)iminourea
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(E)-3-(1-cyano-4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoic acid
CID 22595325
4-cyano-4-methylpiperidine-1-carboxamide
CID 103975376
trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide
CID 165469579
2-cyano-1-methylpyrrolidine-2-carboxamide
CID 121227036
3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide
CID 174963963

Frequently Asked Questions

What is the IUPAC name of 3,3,4-tricyano-2H-pyran-4-carboxamide?
The IUPAC name of 3,3,4-tricyano-2H-pyran-4-carboxamide (CID 133064348) is 3,3,4-tricyano-2H-pyran-4-carboxamide.
What is the SMILES notation for 3,3,4-tricyano-2H-pyran-4-carboxamide?
The canonical SMILES for 3,3,4-tricyano-2H-pyran-4-carboxamide is N#CC1(C#N)COC=CC1(C#N)C(N)=O.
What is the InChIKey of 3,3,4-tricyano-2H-pyran-4-carboxamide?
The InChIKey is MRSGSTOZBFAAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2/c10-3-8(4-11)6-15-2-1-9(8,5-12)7(13)14/h1-2H,6H2,(H2,13,14).
What are the key properties of 3,3,4-tricyano-2H-pyran-4-carboxamide?
3,3,4-tricyano-2H-pyran-4-carboxamide has a molecular weight of 202.17 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-tricyano-2H-pyran-4-carboxamide is sourced from PubChem (CID 133064348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).