N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide

C12H14N4O2 — CID 103896383

IUPACN-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCCCC(N)=O)nc1
InChIInChI=1S/C12H14N4O2/c13-7-9-4-5-10(16-8-9)12(18)15-6-2-1-3-11(14)17/h4-5,8H,1-3,6H2,(H2,14,17)(H,15,18)
InChIKeyVIDOYSMXKCLFFT-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.34
Rot. Bonds6

About N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide

N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide (PubChem CID 103896383) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
PubChem CID103896383
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCCCC(N)=O)nc1
InChIInChI=1S/C12H14N4O2/c13-7-9-4-5-10(16-8-9)12(18)15-6-2-1-3-11(14)17/h4-5,8H,1-3,6H2,(H2,14,17)(H,15,18)
InChIKeyVIDOYSMXKCLFFT-UHFFFAOYSA-N
XLogP0.34
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 63716783
5-cyano-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 63719383
5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide
CID 82942469
5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546656
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63717300
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide (CID 103896383) is N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)NCCCCC(N)=O)nc1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide?
The InChIKey is VIDOYSMXKCLFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-7-9-4-5-10(16-8-9)12(18)15-6-2-1-3-11(14)17/h4-5,8H,1-3,6H2,(H2,14,17)(H,15,18).
What are the key properties of N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide?
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 103896383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).