2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide

C21H28N4O2 — CID 109168784

IUPAC2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccn2)CC1
InChIInChI=1S/C21H28N4O2/c1-4-24-11-13-25(14-12-24)20-15-17(9-10-22-20)21(26)23-18-5-7-19(8-6-18)27-16(2)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,23,26)
InChIKeyLVAWZJXXXBJPES-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.26
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide

2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide (PubChem CID 109168784) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
PubChem CID109168784
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccn2)CC1
InChIInChI=1S/C21H28N4O2/c1-4-24-11-13-25(14-12-24)20-15-17(9-10-22-20)21(26)23-18-5-7-19(8-6-18)27-16(2)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,23,26)
InChIKeyLVAWZJXXXBJPES-UHFFFAOYSA-N
XLogP3.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109254254
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
ethyl 4-[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174338
2-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109168727
2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109165938
2-(2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176475
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168773
ethyl 2-[[2-(4-ethylpiperazin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109168819
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide (CID 109168784) is 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide is CCN1CCN(c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccn2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The InChIKey is LVAWZJXXXBJPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-24-11-13-25(14-12-24)20-15-17(9-10-22-20)21(26)23-18-5-7-19(8-6-18)27-16(2)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109168784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).