N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide

C20H26BrN5O — CID 133301482

IUPACN-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide
SMILESCC(CNc1ncccc1C(=O)Nc1ccc(Br)cc1)N1CCN(C)CC1
InChIInChI=1S/C20H26BrN5O/c1-15(26-12-10-25(2)11-13-26)14-23-19-18(4-3-9-22-19)20(27)24-17-7-5-16(21)6-8-17/h3-9,15H,10-14H2,1-2H3,(H,22,23)(H,24,27)
InChIKeyPVIQDGCCCUBXRZ-UHFFFAOYSA-N
MW432.37 g/mol
LogP3.14
Rot. Bonds6

About N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide

N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide (PubChem CID 133301482) has the molecular formula C20H26BrN5O and a molecular weight of 432.37 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide
PubChem CID133301482
Molecular FormulaC20H26BrN5O
Molecular Weight432.37 g/mol
Exact Mass431.13
IUPAC NameN-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide
SMILESCC(CNc1ncccc1C(=O)Nc1ccc(Br)cc1)N1CCN(C)CC1
InChIInChI=1S/C20H26BrN5O/c1-15(26-12-10-25(2)11-13-26)14-23-19-18(4-3-9-22-19)20(27)24-17-7-5-16(21)6-8-17/h3-9,15H,10-14H2,1-2H3,(H,22,23)(H,24,27)
InChIKeyPVIQDGCCCUBXRZ-UHFFFAOYSA-N
XLogP3.14
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide
CID 133328257
N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133320105
N-methyl-2-[2-(3-methylpiperidin-1-yl)propylamino]pyridine-3-carboxamide
CID 133328259
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949
N-(4-hydroxyphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574934
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide
CID 133474432

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide (CID 133301482) is N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide is CC(CNc1ncccc1C(=O)Nc1ccc(Br)cc1)N1CCN(C)CC1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide?
The InChIKey is PVIQDGCCCUBXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O/c1-15(26-12-10-25(2)11-13-26)14-23-19-18(4-3-9-22-19)20(27)24-17-7-5-16(21)6-8-17/h3-9,15H,10-14H2,1-2H3,(H,22,23)(H,24,27).
What are the key properties of N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide?
N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide has a molecular weight of 432.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133301482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).