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

C21H27N5O — CID 109208359

IUPAC4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccnc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)CC1
InChIInChI=1S/C21H27N5O/c1-24-12-14-26(15-13-24)19-8-9-22-20(16-19)21(27)23-17-4-6-18(7-5-17)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3,(H,23,27)
InChIKeyAICSIGLKWWERRQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.69
Rot. Bonds4

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

4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 109208359) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID109208359
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccnc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)CC1
InChIInChI=1S/C21H27N5O/c1-24-12-14-26(15-13-24)19-8-9-22-20(16-19)21(27)23-17-4-6-18(7-5-17)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3,(H,23,27)
InChIKeyAICSIGLKWWERRQ-UHFFFAOYSA-N
XLogP2.69
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.69
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

N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109345059
6-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109355558
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109341612
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079711
4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109218677
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (CID 109208359) is 4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is CN1CCN(c2ccnc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is AICSIGLKWWERRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24-12-14-26(15-13-24)19-8-9-22-20(16-19)21(27)23-17-4-6-18(7-5-17)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3,(H,23,27).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109208359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).