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

C18H21BrN4O2 — CID 67668609

IUPACN-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2)c(Br)c1N1CCN(C)CC1
InChIInChI=1S/C18H21BrN4O2/c1-22-8-10-23(11-9-22)17-15(25-2)6-5-14(16(17)19)21-18(24)13-4-3-7-20-12-13/h3-7,12H,8-11H2,1-2H3,(H,21,24)
InChIKeyZYHQZSIDVXWRMH-UHFFFAOYSA-N
MW405.30 g/mol
LogP2.86
Rot. Bonds4

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

N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 67668609) has the molecular formula C18H21BrN4O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID67668609
Molecular FormulaC18H21BrN4O2
Molecular Weight405.30 g/mol
Exact Mass404.08
IUPAC NameN-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2)c(Br)c1N1CCN(C)CC1
InChIInChI=1S/C18H21BrN4O2/c1-22-8-10-23(11-9-22)17-15(25-2)6-5-14(16(17)19)21-18(24)13-4-3-7-20-12-13/h3-7,12H,8-11H2,1-2H3,(H,21,24)
InChIKeyZYHQZSIDVXWRMH-UHFFFAOYSA-N
XLogP2.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide
CID 153155678
N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 118913487
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-[2-benzhydrylsulfanyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 139694454
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103909634
N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride
CID 110777674
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
CID 47993620
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(5-methoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 6473397

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CID 67668609) is N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2)c(Br)c1N1CCN(C)CC1.
What is the InChIKey of N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZYHQZSIDVXWRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O2/c1-22-8-10-23(11-9-22)17-15(25-2)6-5-14(16(17)19)21-18(24)13-4-3-7-20-12-13/h3-7,12H,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 405.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 67668609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).