4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide

C22H23N9O — CID 46208358

IUPAC4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
SMILESCc1nccc(Nc2cc(NC3CCN(c4ccc(C#N)cn4)CC3)c(C(N)=O)cn2)n1
InChIInChI=1S/C22H23N9O/c1-14-25-7-4-19(28-14)30-20-10-18(17(13-26-20)22(24)32)29-16-5-8-31(9-6-16)21-3-2-15(11-23)12-27-21/h2-4,7,10,12-13,16H,5-6,8-9H2,1H3,(H2,24,32)(H2,25,26,28,29,30)
InChIKeyQMIQJOUVTUIKMM-UHFFFAOYSA-N
MW429.49 g/mol
LogP2.37
Rot. Bonds6

About 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 46208358) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
PubChem CID46208358
Molecular FormulaC22H23N9O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
SMILESCc1nccc(Nc2cc(NC3CCN(c4ccc(C#N)cn4)CC3)c(C(N)=O)cn2)n1
InChIInChI=1S/C22H23N9O/c1-14-25-7-4-19(28-14)30-20-10-18(17(13-26-20)22(24)32)29-16-5-8-31(9-6-16)21-3-2-15(11-23)12-27-21/h2-4,7,10,12-13,16H,5-6,8-9H2,1H3,(H2,24,32)(H2,25,26,28,29,30)
InChIKeyQMIQJOUVTUIKMM-UHFFFAOYSA-N
XLogP2.37
TPSA145.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide (CID 46208358) is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide is Cc1nccc(Nc2cc(NC3CCN(c4ccc(C#N)cn4)CC3)c(C(N)=O)cn2)n1.
What is the InChIKey of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is QMIQJOUVTUIKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O/c1-14-25-7-4-19(28-14)30-20-10-18(17(13-26-20)22(24)32)29-16-5-8-31(9-6-16)21-3-2-15(11-23)12-27-21/h2-4,7,10,12-13,16H,5-6,8-9H2,1H3,(H2,24,32)(H2,25,26,28,29,30).
What are the key properties of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide?
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 46208358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).