2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide

C22H29N5O — CID 109168800

IUPAC2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccn2)CC1
InChIInChI=1S/C22H29N5O/c1-2-25-13-15-27(16-14-25)21-17-18(9-10-23-21)22(28)24-19-5-7-20(8-6-19)26-11-3-4-12-26/h5-10,17H,2-4,11-16H2,1H3,(H,24,28)
InChIKeyHGEILWRJULECGC-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.08
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide

2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (PubChem CID 109168800) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
PubChem CID109168800
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccn2)CC1
InChIInChI=1S/C22H29N5O/c1-2-25-13-15-27(16-14-25)21-17-18(9-10-23-21)22(28)24-19-5-7-20(8-6-19)26-11-3-4-12-26/h5-10,17H,2-4,11-16H2,1H3,(H,24,28)
InChIKeyHGEILWRJULECGC-UHFFFAOYSA-N
XLogP3.08
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109168784
ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
CID 109166245
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109175938
2-amino-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 110862205
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109170032
N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168773
2-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109168802
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 46979864

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (CID 109168800) is 2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is CCN1CCN(c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccn2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The InChIKey is HGEILWRJULECGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-2-25-13-15-27(16-14-25)21-17-18(9-10-23-21)22(28)24-19-5-7-20(8-6-19)26-11-3-4-12-26/h5-10,17H,2-4,11-16H2,1H3,(H,24,28).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.08, 5 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-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109168800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).