1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide

C18H19N7O — CID 56764955

IUPAC1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CCCN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C18H19N7O/c26-18(23-15-5-1-6-19-11-15)14-4-2-8-24(12-14)16-10-17(21-13-20-16)25-9-3-7-22-25/h1,3,5-7,9-11,13-14H,2,4,8,12H2,(H,23,26)
InChIKeyTZBKFAWJCHWGGH-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.91
Rot. Bonds4

About 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide

1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide (PubChem CID 56764955) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide
PubChem CID56764955
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CCCN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C18H19N7O/c26-18(23-15-5-1-6-19-11-15)14-4-2-8-24(12-14)16-10-17(21-13-20-16)25-9-3-7-22-25/h1,3,5-7,9-11,13-14H,2,4,8,12H2,(H,23,26)
InChIKeyTZBKFAWJCHWGGH-UHFFFAOYSA-N
XLogP1.91
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide (CID 56764955) is 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide is O=C(Nc1cccnc1)C1CCCN(c2cc(-n3cccn3)ncn2)C1.
What is the InChIKey of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The InChIKey is TZBKFAWJCHWGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c26-18(23-15-5-1-6-19-11-15)14-4-2-8-24(12-14)16-10-17(21-13-20-16)25-9-3-7-22-25/h1,3,5-7,9-11,13-14H,2,4,8,12H2,(H,23,26).
What are the key properties of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide?
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 56764955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).