6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide

C21H26N4O2 — CID 109093481

IUPAC6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C21H26N4O2/c1-3-10-22-20(26)18-8-5-9-19(23-18)21(27)25-13-11-24(12-14-25)17-7-4-6-16(2)15-17/h4-9,15H,3,10-14H2,1-2H3,(H,22,26)
InChIKeyRJRSFKNYSKLJNL-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.49
Rot. Bonds5

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

6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide (PubChem CID 109093481) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide
PubChem CID109093481
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C21H26N4O2/c1-3-10-22-20(26)18-8-5-9-19(23-18)21(27)25-13-11-24(12-14-25)17-7-4-6-16(2)15-17/h4-9,15H,3,10-14H2,1-2H3,(H,22,26)
InChIKeyRJRSFKNYSKLJNL-UHFFFAOYSA-N
XLogP2.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109098913
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318924
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide
CID 108957034
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109082685
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109332044
[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone
CID 109216019
[2-(3-methoxypropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109300021
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide
CID 109045294
[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109320855
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319315
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide?
The IUPAC name of 6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide (CID 109093481) is 6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide is CCCNC(=O)c1cccc(C(=O)N2CCN(c3cccc(C)c3)CC2)n1.
What is the InChIKey of 6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide?
The InChIKey is RJRSFKNYSKLJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-10-22-20(26)18-8-5-9-19(23-18)21(27)25-13-11-24(12-14-25)17-7-4-6-16(2)15-17/h4-9,15H,3,10-14H2,1-2H3,(H,22,26).
What are the key properties of 6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide?
6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 109093481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).