N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

C19H26N6O2 — CID 126446042

IUPACN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1ncnn1CC
InChIInChI=1S/C19H26N6O2/c1-3-16(17-21-13-22-25(17)4-2)23-18(26)14-7-11-24(12-8-14)19(27)15-5-9-20-10-6-15/h5-6,9-10,13-14,16H,3-4,7-8,11-12H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyMPHISUZOWYPYGH-INIZCTEOSA-N
MW370.46 g/mol
LogP1.81
Rot. Bonds6

About N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 126446042) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
PubChem CID126446042
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1ncnn1CC
InChIInChI=1S/C19H26N6O2/c1-3-16(17-21-13-22-25(17)4-2)23-18(26)14-7-11-24(12-8-14)19(27)15-5-9-20-10-6-15/h5-6,9-10,13-14,16H,3-4,7-8,11-12H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyMPHISUZOWYPYGH-INIZCTEOSA-N
XLogP1.81
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (CID 126446042) is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is CC[C@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1ncnn1CC.
What is the InChIKey of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is MPHISUZOWYPYGH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-3-16(17-21-13-22-25(17)4-2)23-18(26)14-7-11-24(12-8-14)19(27)15-5-9-20-10-6-15/h5-6,9-10,13-14,16H,3-4,7-8,11-12H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 126446042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).