5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide

C27H33N7O3 — CID 86295251

IUPAC5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(N(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C27H33N7O3/c1-19-4-5-21(29-26(35)20-14-22(32(2)3)18-28-17-20)15-23(19)24-16-25(33-6-10-36-11-7-33)31-27(30-24)34-8-12-37-13-9-34/h4-5,14-18H,6-13H2,1-3H3,(H,29,35)
InChIKeyGIFXXPXSCMJGGJ-UHFFFAOYSA-N
MW503.61 g/mol
LogP2.84
Rot. Bonds6

About 5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide

5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide (PubChem CID 86295251) has the molecular formula C27H33N7O3 and a molecular weight of 503.61 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide
PubChem CID86295251
Molecular FormulaC27H33N7O3
Molecular Weight503.61 g/mol
Exact Mass503.26
IUPAC Name5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(N(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C27H33N7O3/c1-19-4-5-21(29-26(35)20-14-22(32(2)3)18-28-17-20)15-23(19)24-16-25(33-6-10-36-11-7-33)31-27(30-24)34-8-12-37-13-9-34/h4-5,14-18H,6-13H2,1-3H3,(H,29,35)
InChIKeyGIFXXPXSCMJGGJ-UHFFFAOYSA-N
XLogP2.84
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide (CID 86295251) is 5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(N(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide?
The InChIKey is GIFXXPXSCMJGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3/c1-19-4-5-21(29-26(35)20-14-22(32(2)3)18-28-17-20)15-23(19)24-16-25(33-6-10-36-11-7-33)31-27(30-24)34-8-12-37-13-9-34/h4-5,14-18H,6-13H2,1-3H3,(H,29,35).
What are the key properties of 5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide?
5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide has a molecular weight of 503.61 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86295251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).