N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide

C14H20ClN3O — CID 79115416

IUPACN-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)cn1)C1CCC(N)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-18(12-6-4-11(16)5-7-12)14(19)13-8-3-10(15)9-17-13/h3,8-9,11-12H,2,4-7,16H2,1H3
InChIKeyUDULECOMEXNUNP-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.47
Rot. Bonds3

About N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide

N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide (PubChem CID 79115416) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide
PubChem CID79115416
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)cn1)C1CCC(N)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-18(12-6-4-11(16)5-7-12)14(19)13-8-3-10(15)9-17-13/h3,8-9,11-12H,2,4-7,16H2,1H3
InChIKeyUDULECOMEXNUNP-UHFFFAOYSA-N
XLogP2.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-2-carboxamide
CID 104639321
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CID 79115750
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
N-(4-aminocyclohexyl)-N-ethylpyridine-4-carboxamide
CID 79115334
N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
CID 79112080
N-(4-aminocyclohexyl)-N-ethylbenzamide
CID 79116189
N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide
CID 107990592
5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 126994087
5-(aminomethyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 63723531
N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide
CID 102872235
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106626904
5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide
CID 97237339

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide (CID 79115416) is N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide is CCN(C(=O)c1ccc(Cl)cn1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide?
The InChIKey is UDULECOMEXNUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-18(12-6-4-11(16)5-7-12)14(19)13-8-3-10(15)9-17-13/h3,8-9,11-12H,2,4-7,16H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide?
N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 79115416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).