N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

C20H26N4O — CID 109186830

IUPACN-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(N3CCN(CC)CC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-3-16-5-7-17(8-6-16)22-20(25)19-10-9-18(15-21-19)24-13-11-23(4-2)12-14-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,25)
InChIKeyOWIXTHLIHVJFSN-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.04
Rot. Bonds5

About N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109186830) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109186830
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(N3CCN(CC)CC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-3-16-5-7-17(8-6-16)22-20(25)19-10-9-18(15-21-19)24-13-11-23(4-2)12-14-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,25)
InChIKeyOWIXTHLIHVJFSN-UHFFFAOYSA-N
XLogP3.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186876
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109186778
5-(4-ethylpiperazin-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109186854
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215237
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (CID 109186830) is N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is CCc1ccc(NC(=O)c2ccc(N3CCN(CC)CC3)cn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is OWIXTHLIHVJFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-16-5-7-17(8-6-16)22-20(25)19-10-9-18(15-21-19)24-13-11-23(4-2)12-14-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109186830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).