N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide

C15H21N3O — CID 166894346

IUPACN-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide
SMILESCCc1ccncc1C(=O)NC12CCC(N)(CC1)C2
InChIInChI=1S/C15H21N3O/c1-2-11-3-8-17-9-12(11)13(19)18-15-6-4-14(16,10-15)5-7-15/h3,8-9H,2,4-7,10,16H2,1H3,(H,18,19)
InChIKeyKWUCPWDZYGAKFI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.79
Rot. Bonds3

About N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide

N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide (PubChem CID 166894346) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide
PubChem CID166894346
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide
SMILESCCc1ccncc1C(=O)NC12CCC(N)(CC1)C2
InChIInChI=1S/C15H21N3O/c1-2-11-3-8-17-9-12(11)13(19)18-15-6-4-14(16,10-15)5-7-15/h3,8-9H,2,4-7,10,16H2,1H3,(H,18,19)
InChIKeyKWUCPWDZYGAKFI-UHFFFAOYSA-N
XLogP1.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide?
The IUPAC name of N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide (CID 166894346) is N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide is CCc1ccncc1C(=O)NC12CCC(N)(CC1)C2.
What is the InChIKey of N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide?
The InChIKey is KWUCPWDZYGAKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-11-3-8-17-9-12(11)13(19)18-15-6-4-14(16,10-15)5-7-15/h3,8-9H,2,4-7,10,16H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide?
N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-bicyclo[2.2.1]heptanyl)-4-ethylpyridine-3-carboxamide is sourced from PubChem (CID 166894346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).