3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide

C23H27N7O2 — CID 168769107

IUPAC3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide
SMILESCN(C)c1ccc(Nc2nc(NC3CCOCC3)c(-c3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C23H27N7O2/c1-30(2)18-5-3-16(4-6-18)26-23-20(21(24)31)28-19(15-7-11-25-12-8-15)22(29-23)27-17-9-13-32-14-10-17/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H2,24,31)(H2,26,27,29)
InChIKeyGXINJEHPJGSPGY-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.04
Rot. Bonds7

About 3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide

3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide (PubChem CID 168769107) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide
PubChem CID168769107
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide
SMILESCN(C)c1ccc(Nc2nc(NC3CCOCC3)c(-c3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C23H27N7O2/c1-30(2)18-5-3-16(4-6-18)26-23-20(21(24)31)28-19(15-7-11-25-12-8-15)22(29-23)27-17-9-13-32-14-10-17/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H2,24,31)(H2,26,27,29)
InChIKeyGXINJEHPJGSPGY-UHFFFAOYSA-N
XLogP3.04
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide
CID 168769189
5-(cyclopropylamino)-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-pyridin-4-ylpyrazine-2-carboxamide
CID 168769589
3-[3-methyl-4-[4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide
CID 168769349
3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-(3-methyl-4-pyridinyl)-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 168769443
6-(4-cyanophenyl)-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 168769280
3-[4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)-6-pyridin-2-ylpyrazine-2-carboxamide
CID 168769034
4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
CID 43616833
3-[3-ethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(7-oxaspiro[3.5]nonan-2-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide
CID 168769375
3-[3-ethyl-4-(4-methylpiperazin-1-yl)anilino]-5-(oxan-4-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide
CID 168769612
3-[4-[4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)-6-pyridin-2-ylpyrazine-2-carboxamide
CID 168769127
3-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1H-pyrazol-3-yl)-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 168769544
3-[3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)-6-(1,2-oxazol-5-yl)pyrazine-2-carboxamide
CID 168769198

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide (CID 168769107) is 3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide is CN(C)c1ccc(Nc2nc(NC3CCOCC3)c(-c3ccncc3)nc2C(N)=O)cc1.
What is the InChIKey of 3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide?
The InChIKey is GXINJEHPJGSPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-30(2)18-5-3-16(4-6-18)26-23-20(21(24)31)28-19(15-7-11-25-12-8-15)22(29-23)27-17-9-13-32-14-10-17/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H2,24,31)(H2,26,27,29).
What are the key properties of 3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide?
3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)anilino]-5-(oxan-4-ylamino)-6-pyridin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 168769107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).