N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide

C22H31N5O — CID 109195891

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)nc1
InChIInChI=1S/C22H31N5O/c1-3-4-5-12-23-19-8-11-21(24-17-19)22(28)25-18-6-9-20(10-7-18)27-15-13-26(2)14-16-27/h6-11,17,23H,3-5,12-16H2,1-2H3,(H,25,28)
InChIKeyOBDNEVONRKBQLW-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.69
Rot. Bonds8

About N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide (PubChem CID 109195891) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
PubChem CID109195891
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)nc1
InChIInChI=1S/C22H31N5O/c1-3-4-5-12-23-19-8-11-21(24-17-19)22(28)25-18-6-9-20(10-7-18)27-15-13-26(2)14-16-27/h6-11,17,23H,3-5,12-16H2,1-2H3,(H,25,28)
InChIKeyOBDNEVONRKBQLW-UHFFFAOYSA-N
XLogP3.69
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354483
6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
CID 109094346
6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109125432
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide (CID 109195891) is N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide is CCCCCNc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)nc1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide?
The InChIKey is OBDNEVONRKBQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-3-4-5-12-23-19-8-11-21(24-17-19)22(28)25-18-6-9-20(10-7-18)27-15-13-26(2)14-16-27/h6-11,17,23H,3-5,12-16H2,1-2H3,(H,25,28).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).