N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide

C22H28N4O2 — CID 109098913

IUPACN,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C22H28N4O2/c1-4-24(5-2)21(27)19-10-7-11-20(23-19)22(28)26-14-12-25(13-15-26)18-9-6-8-17(3)16-18/h6-11,16H,4-5,12-15H2,1-3H3
InChIKeyUWTYCRRTBFTNQT-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.83
Rot. Bonds5

About N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide

N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 109098913) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID109098913
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C22H28N4O2/c1-4-24(5-2)21(27)19-10-7-11-20(23-19)22(28)26-14-12-25(13-15-26)18-9-6-8-17(3)16-18/h6-11,16H,4-5,12-15H2,1-3H3
InChIKeyUWTYCRRTBFTNQT-UHFFFAOYSA-N
XLogP2.83
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide
CID 109093481
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109332044
N,N-diethyl-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096024
N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109160359
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318924
[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322306
[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109366897
[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109320855
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide (CID 109098913) is N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide is CCN(CC)C(=O)c1cccc(C(=O)N2CCN(c3cccc(C)c3)CC2)n1.
What is the InChIKey of N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is UWTYCRRTBFTNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-24(5-2)21(27)19-10-7-11-20(23-19)22(28)26-14-12-25(13-15-26)18-9-6-8-17(3)16-18/h6-11,16H,4-5,12-15H2,1-3H3.
What are the key properties of N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.83, 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)piperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 109098913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).