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

C22H27N3O — CID 109152784

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)NCCC2=CCCCC2)cn1)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-17(19-10-6-3-7-11-19)25-21-13-12-20(16-24-21)22(26)23-15-14-18-8-4-2-5-9-18/h3,6-8,10-13,16-17H,2,4-5,9,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYXBXKNJLRLZCFN-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.88
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109152784) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID109152784
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)NCCC2=CCCCC2)cn1)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-17(19-10-6-3-7-11-19)25-21-13-12-20(16-24-21)22(26)23-15-14-18-8-4-2-5-9-18/h3,6-8,10-13,16-17H,2,4-5,9,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYXBXKNJLRLZCFN-UHFFFAOYSA-N
XLogP4.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109152831
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
N-[2-(cyclohexen-1-yl)ethyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109152795
6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 109152824
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
6-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109152689

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide (CID 109152784) is N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide is CC(Nc1ccc(C(=O)NCCC2=CCCCC2)cn1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is YXBXKNJLRLZCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17(19-10-6-3-7-11-19)25-21-13-12-20(16-24-21)22(26)23-15-14-18-8-4-2-5-9-18/h3,6-8,10-13,16-17H,2,4-5,9,14-15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109152784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).