5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

C16H20ClN5O3 — CID 91785731

IUPAC5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C16H20ClN5O3/c1-25-5-4-22-14(9-23)20-21-15(22)10-6-12(7-10)19-16(24)13-3-2-11(17)8-18-13/h2-3,8,10,12,23H,4-7,9H2,1H3,(H,19,24)
InChIKeyRIDBRULFNIKVFA-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.14
Rot. Bonds7

About 5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 91785731) has the molecular formula C16H20ClN5O3 and a molecular weight of 365.82 g/mol. Its IUPAC name is 5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID91785731
Molecular FormulaC16H20ClN5O3
Molecular Weight365.82 g/mol
Exact Mass365.13
IUPAC Name5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C16H20ClN5O3/c1-25-5-4-22-14(9-23)20-21-15(22)10-6-12(7-10)19-16(24)13-3-2-11(17)8-18-13/h2-3,8,10,12,23H,4-7,9H2,1H3,(H,19,24)
InChIKeyRIDBRULFNIKVFA-UHFFFAOYSA-N
XLogP1.14
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-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 5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (CID 91785731) is 5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is COCCn1c(CO)nnc1C1CC(NC(=O)c2ccc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is RIDBRULFNIKVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O3/c1-25-5-4-22-14(9-23)20-21-15(22)10-6-12(7-10)19-16(24)13-3-2-11(17)8-18-13/h2-3,8,10,12,23H,4-7,9H2,1H3,(H,19,24).
What are the key properties of 5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 91785731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).