N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide

C20H29N3O — CID 98365172

IUPACN-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccnc1N1CCCCC1
InChIInChI=1S/C20H29N3O/c24-20(22-10-8-17-14-15-6-7-16(17)13-15)18-5-4-9-21-19(18)23-11-2-1-3-12-23/h4-5,9,15-17H,1-3,6-8,10-14H2,(H,22,24)/t15-,16-,17-/m1/s1
InChIKeyKZZJAKPZDAPVQD-BRWVUGGUSA-N
MW327.47 g/mol
LogP3.63
Rot. Bonds5

About N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide

N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 98365172) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID98365172
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccnc1N1CCCCC1
InChIInChI=1S/C20H29N3O/c24-20(22-10-8-17-14-15-6-7-16(17)13-15)18-5-4-9-21-19(18)23-11-2-1-3-12-23/h4-5,9,15-17H,1-3,6-8,10-14H2,(H,22,24)/t15-,16-,17-/m1/s1
InChIKeyKZZJAKPZDAPVQD-BRWVUGGUSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide with MolForge

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Related Compounds

2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535955
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide
CID 71881693
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide
CID 112835510
N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119407815
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-[2-(benzenesulfonyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 51123416
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685339
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 98786152

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide (CID 98365172) is N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide is O=C(NCC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccnc1N1CCCCC1.
What is the InChIKey of N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is KZZJAKPZDAPVQD-BRWVUGGUSA-N. The full InChI is InChI=1S/C20H29N3O/c24-20(22-10-8-17-14-15-6-7-16(17)13-15)18-5-4-9-21-19(18)23-11-2-1-3-12-23/h4-5,9,15-17H,1-3,6-8,10-14H2,(H,22,24)/t15-,16-,17-/m1/s1.
What are the key properties of N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 98365172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).