5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide

C17H20BrN5O — CID 70497264

IUPAC5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(Nc3cc(Br)cnc3C(N)=O)cc2)CC1
InChIInChI=1S/C17H20BrN5O/c1-22-6-8-23(9-7-22)14-4-2-13(3-5-14)21-15-10-12(18)11-20-16(15)17(19)24/h2-5,10-11,21H,6-9H2,1H3,(H2,19,24)
InChIKeyNNFPDWXADADGRQ-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.44
Rot. Bonds4

About 5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide

5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide (PubChem CID 70497264) has the molecular formula C17H20BrN5O and a molecular weight of 390.29 g/mol. Its IUPAC name is 5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
PubChem CID70497264
Molecular FormulaC17H20BrN5O
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC Name5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(Nc3cc(Br)cnc3C(N)=O)cc2)CC1
InChIInChI=1S/C17H20BrN5O/c1-22-6-8-23(9-7-22)14-4-2-13(3-5-14)21-15-10-12(18)11-20-16(15)17(19)24/h2-5,10-11,21H,6-9H2,1H3,(H2,19,24)
InChIKeyNNFPDWXADADGRQ-UHFFFAOYSA-N
XLogP2.44
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.44
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

5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbonitrile
CID 70498427
3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 44526828
2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide
CID 175783724
5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 175321041
(E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide
CID 162352566
5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
CID 88569768
2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 57489643
5-bromo-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrimidin-6-one
CID 71143055
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
3-chloro-4-cyclopropylbenzamide;3-[4-(4-methylpiperazin-1-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201115
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
methyl 1-(4-chlorophenyl)-4-[4-(4-methylpiperazin-1-yl)anilino]-6-oxopyridazine-3-carboxylate
CID 102358283

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide (CID 70497264) is 5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide is CN1CCN(c2ccc(Nc3cc(Br)cnc3C(N)=O)cc2)CC1.
What is the InChIKey of 5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide?
The InChIKey is NNFPDWXADADGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O/c1-22-6-8-23(9-7-22)14-4-2-13(3-5-14)21-15-10-12(18)11-20-16(15)17(19)24/h2-5,10-11,21H,6-9H2,1H3,(H2,19,24).
What are the key properties of 5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide?
5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide has a molecular weight of 390.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 70497264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).