N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide

C16H22N2O — CID 118410766

IUPACN-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide
SMILESCC(C)C12CCC(NC(=O)c3ccccn3)(CC1)C2
InChIInChI=1S/C16H22N2O/c1-12(2)15-6-8-16(11-15,9-7-15)18-14(19)13-5-3-4-10-17-13/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,19)
InChIKeySQZISUVBEIAVSA-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.17
Rot. Bonds3

About N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide

N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide (PubChem CID 118410766) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide
PubChem CID118410766
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide
SMILESCC(C)C12CCC(NC(=O)c3ccccn3)(CC1)C2
InChIInChI=1S/C16H22N2O/c1-12(2)15-6-8-16(11-15,9-7-15)18-14(19)13-5-3-4-10-17-13/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,19)
InChIKeySQZISUVBEIAVSA-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[5-(pyridine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 70496351
N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 175814951
N-[5-[[2-[(Z)-1-methylsulfanylprop-1-en-2-yl]iminoacetyl]amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 57404601
N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 160579083
N-[(5R)-5-[(6-methyl-2-pyridinyl)carbamoyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 130286496
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
CID 158400664
N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 123921285
methyl 1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylate;1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 162200373
N-[1-(3-chlorophenyl)cyclopropyl]pyridine-2-carboxamide
CID 110444338
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
6-methyl-N-[(1R,5S)-5-(2-pyridin-2-ylethynyl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 71535585
ethane;pyridine-2-carbonyl chloride
CID 158598971

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide (CID 118410766) is N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide is CC(C)C12CCC(NC(=O)c3ccccn3)(CC1)C2.
What is the InChIKey of N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide?
The InChIKey is SQZISUVBEIAVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)15-6-8-16(11-15,9-7-15)18-14(19)13-5-3-4-10-17-13/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide?
N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide is sourced from PubChem (CID 118410766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).