N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide

C16H21ClN2O — CID 81225387

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)C2CC3CCC2C3)cn1
InChIInChI=1S/C16H21ClN2O/c1-9-5-15(17)14(8-18-9)16(20)19-10(2)13-7-11-3-4-12(13)6-11/h5,8,10-13H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyCOEJMYKBDWCYQX-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.60
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide (PubChem CID 81225387) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
PubChem CID81225387
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)C2CC3CCC2C3)cn1
InChIInChI=1S/C16H21ClN2O/c1-9-5-15(17)14(8-18-9)16(20)19-10(2)13-7-11-3-4-12(13)6-11/h5,8,10-13H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyCOEJMYKBDWCYQX-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81232589
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 98219920
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 98271656
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 113240764
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloropyridine-2-carboxamide
CID 43087425
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloro-5-nitrobenzamide
CID 98258780
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 98331279
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide
CID 103186992
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 98695287
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
CID 105071610

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide (CID 81225387) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC(C)C2CC3CCC2C3)cn1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide?
The InChIKey is COEJMYKBDWCYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-9-5-15(17)14(8-18-9)16(20)19-10(2)13-7-11-3-4-12(13)6-11/h5,8,10-13H,3-4,6-7H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide has a molecular weight of 292.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81225387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).