N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C22H27N5O2 — CID 109094899

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cccc(C(=O)N4CCCC4)n3)cc2)CC1
InChIInChI=1S/C22H27N5O2/c1-25-13-15-26(16-14-25)18-9-7-17(8-10-18)23-21(28)19-5-4-6-20(24-19)22(29)27-11-2-3-12-27/h4-10H,2-3,11-16H2,1H3,(H,23,28)
InChIKeyHJRIENHFPAWYIU-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.32
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109094899) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109094899
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cccc(C(=O)N4CCCC4)n3)cc2)CC1
InChIInChI=1S/C22H27N5O2/c1-25-13-15-26(16-14-25)18-9-7-17(8-10-18)23-21(28)19-5-4-6-20(24-19)22(29)27-11-2-3-12-27/h4-10H,2-3,11-16H2,1H3,(H,23,28)
InChIKeyHJRIENHFPAWYIU-UHFFFAOYSA-N
XLogP2.32
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.32
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)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095228
2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
CID 109094346
methyl 4-[[6-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099926
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109099901
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]methanone
CID 109313354
[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298550
6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109099941
N-(2,6-dichlorophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095252
6-methoxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 110862104
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 109094899) is N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3cccc(C(=O)N4CCCC4)n3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is HJRIENHFPAWYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-25-13-15-26(16-14-25)18-9-7-17(8-10-18)23-21(28)19-5-4-6-20(24-19)22(29)27-11-2-3-12-27/h4-10H,2-3,11-16H2,1H3,(H,23,28).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109094899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).