4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide

C17H22N6O — CID 154744321

IUPAC4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESCc1cc(N2CCC(Nc3ccncc3C(N)=O)CC2)nc(C)n1
InChIInChI=1S/C17H22N6O/c1-11-9-16(21-12(2)20-11)23-7-4-13(5-8-23)22-15-3-6-19-10-14(15)17(18)24/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H2,18,24)(H,19,22)
InChIKeyUJVPBVPEPWTJEH-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.67
Rot. Bonds4

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

4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 154744321) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID154744321
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESCc1cc(N2CCC(Nc3ccncc3C(N)=O)CC2)nc(C)n1
InChIInChI=1S/C17H22N6O/c1-11-9-16(21-12(2)20-11)23-7-4-13(5-8-23)22-15-3-6-19-10-14(15)17(18)24/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H2,18,24)(H,19,22)
InChIKeyUJVPBVPEPWTJEH-UHFFFAOYSA-N
XLogP1.67
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide (CID 154744321) is 4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide is Cc1cc(N2CCC(Nc3ccncc3C(N)=O)CC2)nc(C)n1.
What is the InChIKey of 4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is UJVPBVPEPWTJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-9-16(21-12(2)20-11)23-7-4-13(5-8-23)22-15-3-6-19-10-14(15)17(18)24/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H2,18,24)(H,19,22).
What are the key properties of 4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?
4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 154744321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).