N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide

C20H27N3O — CID 109161223

IUPACN-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCC(C)C)nc1)c1cccc(C)c1
InChIInChI=1S/C20H27N3O/c1-5-23(18-8-6-7-16(4)13-18)20(24)17-9-10-19(22-14-17)21-12-11-15(2)3/h6-10,13-15H,5,11-12H2,1-4H3,(H,21,22)
InChIKeyDCNMRGYQGJUWOG-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.51
Rot. Bonds7

About N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide

N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 109161223) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID109161223
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCC(C)C)nc1)c1cccc(C)c1
InChIInChI=1S/C20H27N3O/c1-5-23(18-8-6-7-16(4)13-18)20(24)17-9-10-19(22-14-17)21-12-11-15(2)3/h6-10,13-15H,5,11-12H2,1-4H3,(H,21,22)
InChIKeyDCNMRGYQGJUWOG-UHFFFAOYSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
6-[4-(dimethylamino)anilino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109164676
N-methyl-N-(3-methylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62174886
N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 109061323
N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263537
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271148
6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109153781
1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979740
N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160792
N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271545
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide (CID 109161223) is N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide is CCN(C(=O)c1ccc(NCCC(C)C)nc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is DCNMRGYQGJUWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-23(18-8-6-7-16(4)13-18)20(24)17-9-10-19(22-14-17)21-12-11-15(2)3/h6-10,13-15H,5,11-12H2,1-4H3,(H,21,22).
What are the key properties of N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide?
N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109161223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).