N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide

C18H24N6O2 — CID 91777276

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)cn1
InChIInChI=1S/C18H24N6O2/c1-23(2)15-6-3-11(9-19-15)18(26)20-13-7-12(8-13)17-22-21-16(10-25)24(17)14-4-5-14/h3,6,9,12-14,25H,4-5,7-8,10H2,1-2H3,(H,20,26)
InChIKeyHUKWDMBAOIOZKA-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.24
Rot. Bonds6

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide (PubChem CID 91777276) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide
PubChem CID91777276
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)cn1
InChIInChI=1S/C18H24N6O2/c1-23(2)15-6-3-11(9-19-15)18(26)20-13-7-12(8-13)17-22-21-16(10-25)24(17)14-4-5-14/h3,6,9,12-14,25H,4-5,7-8,10H2,1-2H3,(H,20,26)
InChIKeyHUKWDMBAOIOZKA-UHFFFAOYSA-N
XLogP1.24
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide (CID 91777276) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)cn1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is HUKWDMBAOIOZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-23(2)15-6-3-11(9-19-15)18(26)20-13-7-12(8-13)17-22-21-16(10-25)24(17)14-4-5-14/h3,6,9,12-14,25H,4-5,7-8,10H2,1-2H3,(H,20,26).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 91777276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).