1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide

C17H25N7O — CID 71707579

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3n[nH]c(C(C)C)n3)C2)n1
InChIInChI=1S/C17H25N7O/c1-10(2)14-20-16(23-22-14)21-15(25)13-6-5-7-24(9-13)17-18-11(3)8-12(4)19-17/h8,10,13H,5-7,9H2,1-4H3,(H2,20,21,22,23,25)
InChIKeyRWBBQAWHCQRRMJ-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.19
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide (PubChem CID 71707579) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
PubChem CID71707579
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3n[nH]c(C(C)C)n3)C2)n1
InChIInChI=1S/C17H25N7O/c1-10(2)14-20-16(23-22-14)21-15(25)13-6-5-7-24(9-13)17-18-11(3)8-12(4)19-17/h8,10,13H,5-7,9H2,1-4H3,(H2,20,21,22,23,25)
InChIKeyRWBBQAWHCQRRMJ-UHFFFAOYSA-N
XLogP2.19
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide (CID 71707579) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)Nc3n[nH]c(C(C)C)n3)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The InChIKey is RWBBQAWHCQRRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-10(2)14-20-16(23-22-14)21-15(25)13-6-5-7-24(9-13)17-18-11(3)8-12(4)19-17/h8,10,13H,5-7,9H2,1-4H3,(H2,20,21,22,23,25).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 71707579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).