N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide

C15H23N3O2 — CID 63834324

IUPACN-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCOC2CCCCC2)ccn1
InChIInChI=1S/C15H23N3O2/c1-16-14-11-12(7-8-17-14)15(19)18-9-10-20-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyLIBDSKLVWWWYTP-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.20
Rot. Bonds6

About N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide

N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 63834324) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID63834324
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCOC2CCCCC2)ccn1
InChIInChI=1S/C15H23N3O2/c1-16-14-11-12(7-8-17-14)15(19)18-9-10-20-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyLIBDSKLVWWWYTP-UHFFFAOYSA-N
XLogP2.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.20
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

2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
CID 113255607
2-amino-N-(2-cyclopentyloxyethyl)pyridine-4-carboxamide
CID 63834137
N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 62185207
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63834843
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175030
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide (CID 63834324) is N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCOC2CCCCC2)ccn1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is LIBDSKLVWWWYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16-14-11-12(7-8-17-14)15(19)18-9-10-20-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide?
N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 63834324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).