N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

C21H29N3O2 — CID 156610232

IUPACN-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2C(=O)C1CCCCCC1)c1ccncc1
InChIInChI=1S/C21H29N3O2/c25-20(15-9-11-22-12-10-15)23-17-13-18-7-8-19(14-17)24(18)21(26)16-5-3-1-2-4-6-16/h9-12,16-19H,1-8,13-14H2,(H,23,25)
InChIKeyPSMYXHYUTMVLBL-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.30
Rot. Bonds3

About N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide (PubChem CID 156610232) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
PubChem CID156610232
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2C(=O)C1CCCCCC1)c1ccncc1
InChIInChI=1S/C21H29N3O2/c25-20(15-9-11-22-12-10-15)23-17-13-18-7-8-19(14-17)24(18)21(26)16-5-3-1-2-4-6-16/h9-12,16-19H,1-8,13-14H2,(H,23,25)
InChIKeyPSMYXHYUTMVLBL-UHFFFAOYSA-N
XLogP3.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-[(1R,5S)-8-(2-methoxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 110876575
N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610346
N-[8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 156610236
N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 156610325
N-[(1R,5S)-8-(3,4,5-trimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912344
N-[(1R,3R)-3-fluorocyclopentyl]pyridine-4-carboxamide
CID 129348302
N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912326
N-[(1R,5S)-8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912256
N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610411
N'-(cyclohexanecarbonyl)pyridine-4-carbohydrazide
CID 782647

Frequently Asked Questions

What is the IUPAC name of N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide (CID 156610232) is N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide is O=C(NC1CC2CCC(C1)N2C(=O)C1CCCCCC1)c1ccncc1.
What is the InChIKey of N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
The InChIKey is PSMYXHYUTMVLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(15-9-11-22-12-10-15)23-17-13-18-7-8-19(14-17)24(18)21(26)16-5-3-1-2-4-6-16/h9-12,16-19H,1-8,13-14H2,(H,23,25).
What are the key properties of N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 156610232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).