(1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide

C16H24N4O — CID 98255743

IUPAC(1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)NCc1cccnc1)C2
InChIInChI=1S/C16H24N4O/c1-12(2)20-14-5-6-15(20)11-19(10-14)16(21)18-9-13-4-3-7-17-8-13/h3-4,7-8,12,14-15H,5-6,9-11H2,1-2H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyKFKJQQYXHTXDRH-GJZGRUSLSA-N
MW288.39 g/mol
LogP1.85
Rot. Bonds3

About (1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide

(1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 98255743) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
PubChem CID98255743
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)NCc1cccnc1)C2
InChIInChI=1S/C16H24N4O/c1-12(2)20-14-5-6-15(20)11-19(10-14)16(21)18-9-13-4-3-7-17-8-13/h3-4,7-8,12,14-15H,5-6,9-11H2,1-2H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyKFKJQQYXHTXDRH-GJZGRUSLSA-N
XLogP1.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 156608806
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006
N-[[2-(hydroxymethyl)phenyl]methyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71868412
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 31042688
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
methyl (3S,4R)-4-(4-hydroxyphenyl)-1-(pyridin-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylate
CID 166245865
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
(5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125242336
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of (1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide (CID 98255743) is (1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for (1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for (1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide is CC(C)N1[C@H]2CC[C@H]1CN(C(=O)NCc1cccnc1)C2.
What is the InChIKey of (1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is KFKJQQYXHTXDRH-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)20-14-5-6-15(20)11-19(10-14)16(21)18-9-13-4-3-7-17-8-13/h3-4,7-8,12,14-15H,5-6,9-11H2,1-2H3,(H,18,21)/t14-,15-/m0/s1.
What are the key properties of (1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
(1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 98255743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).