N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide

C15H23N3O2 — CID 106753638

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCOC2CCC(N)CC2)ccn1
InChIInChI=1S/C15H23N3O2/c1-11-10-12(6-7-17-11)15(19)18-8-9-20-14-4-2-13(16)3-5-14/h6-7,10,13-14H,2-5,8-9,16H2,1H3,(H,18,19)
InChIKeyYFEHQURZGKTBID-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.41
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide (PubChem CID 106753638) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
PubChem CID106753638
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCOC2CCC(N)CC2)ccn1
InChIInChI=1S/C15H23N3O2/c1-11-10-12(6-7-17-11)15(19)18-8-9-20-14-4-2-13(16)3-5-14/h6-7,10,13-14H,2-5,8-9,16H2,1H3,(H,18,19)
InChIKeyYFEHQURZGKTBID-UHFFFAOYSA-N
XLogP1.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine
CID 113482690
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
2-amino-N-(2-cyclopentyloxyethyl)pyridine-4-carboxamide
CID 63834137
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
CID 81316459
N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 63834324
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
CID 82871139
N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide
CID 63869966
2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
CID 113255607
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148439
N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
CID 63870129

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide (CID 106753638) is N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCCOC2CCC(N)CC2)ccn1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide?
The InChIKey is YFEHQURZGKTBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-10-12(6-7-17-11)15(19)18-8-9-20-14-4-2-13(16)3-5-14/h6-7,10,13-14H,2-5,8-9,16H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).