4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide

C23H24N8O — CID 46209051

IUPAC4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
SMILESCc1nccc(Nc2cc(NC3CCN(c4ccc(C#N)cc4)CC3)c(C(N)=O)cn2)n1
InChIInChI=1S/C23H24N8O/c1-15-26-9-6-21(28-15)30-22-12-20(19(14-27-22)23(25)32)29-17-7-10-31(11-8-17)18-4-2-16(13-24)3-5-18/h2-6,9,12,14,17H,7-8,10-11H2,1H3,(H2,25,32)(H2,26,27,28,29,30)
InChIKeyDIAXGSXBDZNLPK-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.98
Rot. Bonds6

About 4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide

4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 46209051) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
PubChem CID46209051
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
SMILESCc1nccc(Nc2cc(NC3CCN(c4ccc(C#N)cc4)CC3)c(C(N)=O)cn2)n1
InChIInChI=1S/C23H24N8O/c1-15-26-9-6-21(28-15)30-22-12-20(19(14-27-22)23(25)32)29-17-7-10-31(11-8-17)18-4-2-16(13-24)3-5-18/h2-6,9,12,14,17H,7-8,10-11H2,1H3,(H2,25,32)(H2,26,27,28,29,30)
InChIKeyDIAXGSXBDZNLPK-UHFFFAOYSA-N
XLogP2.98
TPSA132.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide (CID 46209051) is 4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide is Cc1nccc(Nc2cc(NC3CCN(c4ccc(C#N)cc4)CC3)c(C(N)=O)cn2)n1.
What is the InChIKey of 4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is DIAXGSXBDZNLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-15-26-9-6-21(28-15)30-22-12-20(19(14-27-22)23(25)32)29-17-7-10-31(11-8-17)18-4-2-16(13-24)3-5-18/h2-6,9,12,14,17H,7-8,10-11H2,1H3,(H2,25,32)(H2,26,27,28,29,30).
What are the key properties of 4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 46209051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).