4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide

C18H21N7O — CID 163307452

IUPAC4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)NCc1cccc2ncnn12
InChIInChI=1S/C18H21N7O/c1-13-15(11-20-18(23-13)24-8-3-2-4-9-24)17(26)19-10-14-6-5-7-16-21-12-22-25(14)16/h5-7,11-12H,2-4,8-10H2,1H3,(H,19,26)
InChIKeyWZRQEKLQYHXMCB-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.75
Rot. Bonds4

About 4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide

4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 163307452) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide
PubChem CID163307452
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)NCc1cccc2ncnn12
InChIInChI=1S/C18H21N7O/c1-13-15(11-20-18(23-13)24-8-3-2-4-9-24)17(26)19-10-14-6-5-7-16-21-12-22-25(14)16/h5-7,11-12H,2-4,8-10H2,1H3,(H,19,26)
InChIKeyWZRQEKLQYHXMCB-UHFFFAOYSA-N
XLogP1.75
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide (CID 163307452) is 4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide is Cc1nc(N2CCCCC2)ncc1C(=O)NCc1cccc2ncnn12.
What is the InChIKey of 4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is WZRQEKLQYHXMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13-15(11-20-18(23-13)24-8-3-2-4-9-24)17(26)19-10-14-6-5-7-16-21-12-22-25(14)16/h5-7,11-12H,2-4,8-10H2,1H3,(H,19,26).
What are the key properties of 4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide?
4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 163307452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).