N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C17H23N3O2 — CID 109080315

IUPACN-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C17H23N3O2/c21-16(19-14-6-2-1-3-7-14)15-12-13(8-9-18-15)17(22)20-10-4-5-11-20/h8-9,12,14H,1-7,10-11H2,(H,19,21)
InChIKeyKMDWHBOBARDGIT-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.38
Rot. Bonds3

About N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109080315) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109080315
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C17H23N3O2/c21-16(19-14-6-2-1-3-7-14)15-12-13(8-9-18-15)17(22)20-10-4-5-11-20/h8-9,12,14H,1-7,10-11H2,(H,19,21)
InChIKeyKMDWHBOBARDGIT-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
N-(1,1-dioxothiolan-3-yl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081063
N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109078616
2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide
CID 109081367
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
N-cyclopentyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080690
N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109080701
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
N-cyclopentyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094934
N-cycloheptyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102544

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 109080315) is N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is O=C(NC1CCCCC1)c1cc(C(=O)N2CCCC2)ccn1.
What is the InChIKey of N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is KMDWHBOBARDGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(19-14-6-2-1-3-7-14)15-12-13(8-9-18-15)17(22)20-10-4-5-11-20/h8-9,12,14H,1-7,10-11H2,(H,19,21).
What are the key properties of N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109080315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).