N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide

C22H27N3O2 — CID 109152831

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccccc1Nc1ccc(C(=O)NCCC2=CCCCC2)cn1
InChIInChI=1S/C22H27N3O2/c1-2-27-20-11-7-6-10-19(20)25-21-13-12-18(16-24-21)22(26)23-15-14-17-8-4-3-5-9-17/h6-8,10-13,16H,2-5,9,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyNFRQMZKKRXXKRF-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.84
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide (PubChem CID 109152831) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide
PubChem CID109152831
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccccc1Nc1ccc(C(=O)NCCC2=CCCCC2)cn1
InChIInChI=1S/C22H27N3O2/c1-2-27-20-11-7-6-10-19(20)25-21-13-12-18(16-24-21)22(26)23-15-14-17-8-4-3-5-9-17/h6-8,10-13,16H,2-5,9,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyNFRQMZKKRXXKRF-UHFFFAOYSA-N
XLogP4.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109251112
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153373
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109152741
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152784
6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151913
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109113677
6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 109152824
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
CID 15991965
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869410

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide (CID 109152831) is N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide is CCOc1ccccc1Nc1ccc(C(=O)NCCC2=CCCCC2)cn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide?
The InChIKey is NFRQMZKKRXXKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-27-20-11-7-6-10-19(20)25-21-13-12-18(16-24-21)22(26)23-15-14-17-8-4-3-5-9-17/h6-8,10-13,16H,2-5,9,14-15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109152831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).