N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide

C14H18N2O — CID 176590789

IUPACN-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1ccnc(C(=O)NC23CC(C2)C3)c1
InChIInChI=1S/C14H18N2O/c1-9(2)11-3-4-15-12(5-11)13(17)16-14-6-10(7-14)8-14/h3-5,9-10H,6-8H2,1-2H3,(H,16,17)
InChIKeyQZNSZILESHKWSL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds3

About N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide

N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide (PubChem CID 176590789) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide
PubChem CID176590789
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1ccnc(C(=O)NC23CC(C2)C3)c1
InChIInChI=1S/C14H18N2O/c1-9(2)11-3-4-15-12(5-11)13(17)16-14-6-10(7-14)8-14/h3-5,9-10H,6-8H2,1-2H3,(H,16,17)
InChIKeyQZNSZILESHKWSL-UHFFFAOYSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide (CID 176590789) is N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide is CC(C)c1ccnc(C(=O)NC23CC(C2)C3)c1.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide?
The InChIKey is QZNSZILESHKWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)11-3-4-15-12(5-11)13(17)16-14-6-10(7-14)8-14/h3-5,9-10H,6-8H2,1-2H3,(H,16,17).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide?
N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 176590789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).