5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide

C19H25ClN6O — CID 88569768

IUPAC5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1Cl
InChIInChI=1S/C19H25ClN6O/c1-12(2)15-17(20)24-19(16(23-15)18(21)27)22-13-4-6-14(7-5-13)26-10-8-25(3)9-11-26/h4-7,12H,8-11H2,1-3H3,(H2,21,27)(H,22,24)
InChIKeyHDDNHZASZLHIRO-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.85
Rot. Bonds5

About 5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide

5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide (PubChem CID 88569768) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is 5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
PubChem CID88569768
Molecular FormulaC19H25ClN6O
Molecular Weight388.90 g/mol
Exact Mass388.18
IUPAC Name5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1Cl
InChIInChI=1S/C19H25ClN6O/c1-12(2)15-17(20)24-19(16(23-15)18(21)27)22-13-4-6-14(7-5-13)26-10-8-25(3)9-11-26/h4-7,12H,8-11H2,1-3H3,(H2,21,27)(H,22,24)
InChIKeyHDDNHZASZLHIRO-UHFFFAOYSA-N
XLogP2.85
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 57489643
5-[3-[4-(dimethylamino)but-2-enoylamino]phenoxy]-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
CID 123905748
tert-butyl 4-[4-[(3-carbamoyl-6-chloro-5-ethylpyrazin-2-yl)amino]phenyl]piperazine-1-carboxylate
CID 88569552
5-chloro-3-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-6-(2-hydroxypropan-2-yl)pyrazine-2-carboxamide
CID 88569782
5-chloro-6-ethyl-3-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 87092141
3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(propan-2-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide
CID 168769499
3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 44526828
3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide
CID 11772395
5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 88571970
5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 70497264
5-chloro-3-[4-(4-methyl-1,4-azaborinan-1-yl)anilino]pyrazine-2-carboxamide
CID 87092140
5-(cyclopropylamino)-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-pyridin-4-ylpyrazine-2-carboxamide
CID 168769589

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide (CID 88569768) is 5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide is CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1Cl.
What is the InChIKey of 5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is HDDNHZASZLHIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O/c1-12(2)15-17(20)24-19(16(23-15)18(21)27)22-13-4-6-14(7-5-13)26-10-8-25(3)9-11-26/h4-7,12H,8-11H2,1-3H3,(H2,21,27)(H,22,24).
What are the key properties of 5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide?
5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 88569768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).