4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide

C13H16N4O — CID 115151266

IUPAC4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESN#CC1(N)CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C13H16N4O/c14-9-13(15)5-1-10(2-6-13)12(18)17-11-3-7-16-8-4-11/h3-4,7-8,10H,1-2,5-6,15H2,(H,16,17,18)
InChIKeyJDPSKQZUGMFGLP-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.43
Rot. Bonds2

About 4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide

4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 115151266) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID115151266
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESN#CC1(N)CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C13H16N4O/c14-9-13(15)5-1-10(2-6-13)12(18)17-11-3-7-16-8-4-11/h3-4,7-8,10H,1-2,5-6,15H2,(H,16,17,18)
InChIKeyJDPSKQZUGMFGLP-UHFFFAOYSA-N
XLogP1.43
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 115151266) is 4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide is N#CC1(N)CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is JDPSKQZUGMFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-9-13(15)5-1-10(2-6-13)12(18)17-11-3-7-16-8-4-11/h3-4,7-8,10H,1-2,5-6,15H2,(H,16,17,18).
What are the key properties of 4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide?
4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 115151266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).