N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

C19H21ClN6O2 — CID 648764

IUPACN-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCCN(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C19H21ClN6O2/c1-12-8-17(26-19(23-12)21-11-22-26)25-7-3-4-13(10-25)18(27)24-15-9-14(20)5-6-16(15)28-2/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,24,27)
InChIKeyHHBWTCAKOJVSJK-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.95
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 648764) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
PubChem CID648764
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCCN(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C19H21ClN6O2/c1-12-8-17(26-19(23-12)21-11-22-26)25-7-3-4-13(10-25)18(27)24-15-9-14(20)5-6-16(15)28-2/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,24,27)
InChIKeyHHBWTCAKOJVSJK-UHFFFAOYSA-N
XLogP2.95
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 648764) is N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CCCN(c2cc(C)nc3ncnn23)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The InChIKey is HHBWTCAKOJVSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-12-8-17(26-19(23-12)21-11-22-26)25-7-3-4-13(10-25)18(27)24-15-9-14(20)5-6-16(15)28-2/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,24,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 648764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).