2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide

C21H26N4O2 — CID 109084527

IUPAC2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCCN1CCN(C(=O)c2cc(C(=O)NCc3cccc(C)c3)ccn2)CC1
InChIInChI=1S/C21H26N4O2/c1-3-24-9-11-25(12-10-24)21(27)19-14-18(7-8-22-19)20(26)23-15-17-6-4-5-16(2)13-17/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,23,26)
InChIKeyJCTVMPPQBVIVAW-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.10
Rot. Bonds5

About 2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide

2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109084527) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID109084527
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCCN1CCN(C(=O)c2cc(C(=O)NCc3cccc(C)c3)ccn2)CC1
InChIInChI=1S/C21H26N4O2/c1-3-24-9-11-25(12-10-24)21(27)19-14-18(7-8-22-19)20(26)23-15-17-6-4-5-16(2)13-17/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,23,26)
InChIKeyJCTVMPPQBVIVAW-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109085689
2-(4-ethylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077634
(4-ethylpiperazin-1-yl)-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109302527
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084555
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085777
2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077665
2-N-benzyl-2-N-ethyl-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085684
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109084517
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide (CID 109084527) is 2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide is CCN1CCN(C(=O)c2cc(C(=O)NCc3cccc(C)c3)ccn2)CC1.
What is the InChIKey of 2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is JCTVMPPQBVIVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-24-9-11-25(12-10-24)21(27)19-14-18(7-8-22-19)20(26)23-15-17-6-4-5-16(2)13-17/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.10, 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-[(3-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109084527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).