N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide

C23H30N4O4 — CID 153155678

IUPACN-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)c(C(=O)CCCN2CCN(C)CC2)cc1OC
InChIInChI=1S/C23H30N4O4/c1-26-10-12-27(13-11-26)9-5-7-20(28)18-14-21(30-2)22(31-3)15-19(18)25-23(29)17-6-4-8-24-16-17/h4,6,8,14-16H,5,7,9-13H2,1-3H3,(H,25,29)
InChIKeyWBIRLPJEXUBMII-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.56
Rot. Bonds9

About N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide

N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide (PubChem CID 153155678) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide
PubChem CID153155678
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)c(C(=O)CCCN2CCN(C)CC2)cc1OC
InChIInChI=1S/C23H30N4O4/c1-26-10-12-27(13-11-26)9-5-7-20(28)18-14-21(30-2)22(31-3)15-19(18)25-23(29)17-6-4-8-24-16-17/h4,6,8,14-16H,5,7,9-13H2,1-3H3,(H,25,29)
InChIKeyWBIRLPJEXUBMII-UHFFFAOYSA-N
XLogP2.56
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 118913487
N-[2-(4-morpholin-4-ylbutanoyl)phenyl]pyridine-3-carboxamide
CID 157132607
N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide
CID 146931849
N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 67668609
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride
CID 110777674
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 94274694

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide (CID 153155678) is N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2)c(C(=O)CCCN2CCN(C)CC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is WBIRLPJEXUBMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-26-10-12-27(13-11-26)9-5-7-20(28)18-14-21(30-2)22(31-3)15-19(18)25-23(29)17-6-4-8-24-16-17/h4,6,8,14-16H,5,7,9-13H2,1-3H3,(H,25,29).
What are the key properties of N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide?
N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 153155678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).