3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide

C23H26N6O2 — CID 168769361

IUPAC3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide
SMILESCOc1nc(Nc2ccc(N3CCC(N)CC3)cc2)c(C(N)=O)nc1-c1ccccc1
InChIInChI=1S/C23H26N6O2/c1-31-23-19(15-5-3-2-4-6-15)27-20(21(25)30)22(28-23)26-17-7-9-18(10-8-17)29-13-11-16(24)12-14-29/h2-10,16H,11-14,24H2,1H3,(H2,25,30)(H,26,28)
InChIKeyINKUVNQMRMXTEY-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.92
Rot. Bonds6

About 3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide

3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide (PubChem CID 168769361) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide
PubChem CID168769361
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide
SMILESCOc1nc(Nc2ccc(N3CCC(N)CC3)cc2)c(C(N)=O)nc1-c1ccccc1
InChIInChI=1S/C23H26N6O2/c1-31-23-19(15-5-3-2-4-6-15)27-20(21(25)30)22(28-23)26-17-7-9-18(10-8-17)29-13-11-16(24)12-14-29/h2-10,16H,11-14,24H2,1H3,(H2,25,30)(H,26,28)
InChIKeyINKUVNQMRMXTEY-UHFFFAOYSA-N
XLogP2.92
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-yloxy)-6-phenylpyrazine-2-carboxamide
CID 168769150
3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-phenyl-5-(thietan-3-ylamino)pyrazine-2-carboxamide
CID 168769194
5-[[(1R,2R)-2-hydroxycyclopentyl]amino]-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-phenylpyrazine-2-carboxamide
CID 168769391
3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide
CID 11772395
5-(cyclopropylamino)-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-pyridin-4-ylpyrazine-2-carboxamide
CID 168769589
6-(2-isocyano-3-methoxyphenyl)-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 168769587
6-methylidene-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-yl)pyrazino[2,3-c]isoquinoline-2-carboxamide
CID 162440805
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 68909471
5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
CID 88569768
3-[4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)-6-pyridin-2-ylpyrazine-2-carboxamide
CID 168769034
6-ethyl-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(4-oxohex-5-enoxy)pyrazine-2-carboxamide
CID 161306961
6-(4-cyanophenyl)-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 168769280

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide (CID 168769361) is 3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide is COc1nc(Nc2ccc(N3CCC(N)CC3)cc2)c(C(N)=O)nc1-c1ccccc1.
What is the InChIKey of 3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide?
The InChIKey is INKUVNQMRMXTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-31-23-19(15-5-3-2-4-6-15)27-20(21(25)30)22(28-23)26-17-7-9-18(10-8-17)29-13-11-16(24)12-14-29/h2-10,16H,11-14,24H2,1H3,(H2,25,30)(H,26,28).
What are the key properties of 3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide?
3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 168769361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).