N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide

C21H28N4O — CID 109160359

IUPACN,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(N2CCN(c3cccc(C)c3)CC2)nc1
InChIInChI=1S/C21H28N4O/c1-4-23(5-2)21(26)18-9-10-20(22-16-18)25-13-11-24(12-14-25)19-8-6-7-17(3)15-19/h6-10,15-16H,4-5,11-14H2,1-3H3
InChIKeyNTSPRNLACOSXJP-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.20
Rot. Bonds5

About N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide

N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 109160359) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID109160359
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(N2CCN(c3cccc(C)c3)CC2)nc1
InChIInChI=1S/C21H28N4O/c1-4-23(5-2)21(26)18-9-10-20(22-16-18)25-13-11-24(12-14-25)19-8-6-7-17(3)15-19/h6-10,15-16H,4-5,11-14H2,1-3H3
InChIKeyNTSPRNLACOSXJP-UHFFFAOYSA-N
XLogP3.20
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109152244
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606
N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109098913
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 39181745
N,N-diethyl-6-pyrrol-1-ylpyridine-3-carboxamide
CID 10060343
5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide
CID 109238491
1-(3-methylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 27306784
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
CID 113014317
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide (CID 109160359) is N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(N2CCN(c3cccc(C)c3)CC2)nc1.
What is the InChIKey of N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is NTSPRNLACOSXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-23(5-2)21(26)18-9-10-20(22-16-18)25-13-11-24(12-14-25)19-8-6-7-17(3)15-19/h6-10,15-16H,4-5,11-14H2,1-3H3.
What are the key properties of N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 109160359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).