ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

C21H30N4O2 — CID 171622151

IUPACethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC.COc1nccc(C)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H24N4O2.C2H6/c1-14-8-9-20-19(25-3)17(14)18(24)21-15-4-6-16(7-5-15)23-12-10-22(2)11-13-23;1-2/h4-9H,10-13H2,1-3H3,(H,21,24);1-2H3
InChIKeyMNRDCNJVRXDJHY-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.43
Rot. Bonds4

About ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 171622151) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID171622151
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Nameethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC.COc1nccc(C)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H24N4O2.C2H6/c1-14-8-9-20-19(25-3)17(14)18(24)21-15-4-6-16(7-5-15)23-12-10-22(2)11-13-23;1-2/h4-9H,10-13H2,1-3H3,(H,21,24);1-2H3
InChIKeyMNRDCNJVRXDJHY-UHFFFAOYSA-N
XLogP3.43
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.43
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

4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 171622667
ethane;2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(8-nitroisoquinolin-4-yl)amino]pyridine-3-carboxamide
CID 171622697
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
CID 100716626
methyl 5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 134050303
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 127030119
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
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide
CID 117091054
2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110862459

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CID 171622151) is ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is CC.COc1nccc(C)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is MNRDCNJVRXDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.C2H6/c1-14-8-9-20-19(25-3)17(14)18(24)21-15-4-6-16(7-5-15)23-12-10-22(2)11-13-23;1-2/h4-9H,10-13H2,1-3H3,(H,21,24);1-2H3.
What are the key properties of ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 171622151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).