N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide

C18H26N6O — CID 97362311

IUPACN,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1
InChIInChI=1S/C18H26N6O/c1-21(2)18(25)23-11-7-14(8-12-23)17-19-16-6-5-15(13-24(16)20-17)22-9-3-4-10-22/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyVQCNLIUMAYWQNA-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.19
Rot. Bonds2

About N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide

N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide (PubChem CID 97362311) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide
PubChem CID97362311
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1
InChIInChI=1S/C18H26N6O/c1-21(2)18(25)23-11-7-14(8-12-23)17-19-16-6-5-15(13-24(16)20-17)22-9-3-4-10-22/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyVQCNLIUMAYWQNA-UHFFFAOYSA-N
XLogP2.19
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide (CID 97362311) is N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide is CN(C)C(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1.
What is the InChIKey of N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide?
The InChIKey is VQCNLIUMAYWQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-21(2)18(25)23-11-7-14(8-12-23)17-19-16-6-5-15(13-24(16)20-17)22-9-3-4-10-22/h5-6,13-14H,3-4,7-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide?
N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97362311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).