2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide

C23H30N4O2 — CID 109084586

IUPAC2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCCN1CCN(C(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccn2)CC1
InChIInChI=1S/C23H30N4O2/c1-5-26-11-13-27(14-12-26)23(29)20-15-18(9-10-24-20)22(28)25-21-17(4)7-6-8-19(21)16(2)3/h6-10,15-16H,5,11-14H2,1-4H3,(H,25,28)
InChIKeyHKJFIBDSNOLVRQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide

2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide (PubChem CID 109084586) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
PubChem CID109084586
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCCN1CCN(C(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccn2)CC1
InChIInChI=1S/C23H30N4O2/c1-5-26-11-13-27(14-12-26)23(29)20-15-18(9-10-24-20)22(28)25-21-17(4)7-6-8-19(21)16(2)3/h6-10,15-16H,5,11-14H2,1-4H3,(H,25,28)
InChIKeyHKJFIBDSNOLVRQ-UHFFFAOYSA-N
XLogP3.54
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208531
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080597
2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109090740
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084555
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109345330
2-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109084621
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
2-(4-ethylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077634
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109084527
3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 109052346

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide (CID 109084586) is 2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide is CCN1CCN(C(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccn2)CC1.
What is the InChIKey of 2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide?
The InChIKey is HKJFIBDSNOLVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-5-26-11-13-27(14-12-26)23(29)20-15-18(9-10-24-20)22(28)25-21-17(4)7-6-8-19(21)16(2)3/h6-10,15-16H,5,11-14H2,1-4H3,(H,25,28).
What are the key properties of 2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide?
2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109084586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).