N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide

C20H27N5O — CID 109151220

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cn1
InChIInChI=1S/C20H27N5O/c1-3-10-21-19-9-4-16(15-22-19)20(26)23-17-5-7-18(8-6-17)25-13-11-24(2)12-14-25/h4-9,15H,3,10-14H2,1-2H3,(H,21,22)(H,23,26)
InChIKeyVPLKZDBUQTUZQQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.91
Rot. Bonds6

About N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide (PubChem CID 109151220) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide
PubChem CID109151220
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cn1
InChIInChI=1S/C20H27N5O/c1-3-10-21-19-9-4-16(15-22-19)20(26)23-17-5-7-18(8-6-17)25-13-11-24(2)12-14-25/h4-9,15H,3,10-14H2,1-2H3,(H,21,22)(H,23,26)
InChIKeyVPLKZDBUQTUZQQ-UHFFFAOYSA-N
XLogP2.91
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
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

6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
CID 109195891
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071
2-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109265024
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151851
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354483
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109168430
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172448
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide (CID 109151220) is N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cn1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is VPLKZDBUQTUZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-10-21-19-9-4-16(15-22-19)20(26)23-17-5-7-18(8-6-17)25-13-11-24(2)12-14-25/h4-9,15H,3,10-14H2,1-2H3,(H,21,22)(H,23,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.91, 6 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]-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109151220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).