4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide

C28H32N6O2 — CID 139349926

IUPAC4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
SMILESCn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CCC5CC54)cc(C4CC4)n3)c2)COC1
InChIInChI=1S/C28H32N6O2/c1-33-17-29-32-26(33)13-28(15-36-16-28)21-3-2-4-22(12-21)30-27(35)24-10-18(9-23(31-24)19-5-6-19)14-34-8-7-20-11-25(20)34/h2-4,9-10,12,17,19-20,25H,5-8,11,13-16H2,1H3,(H,30,35)
InChIKeyDFMVTXPBVBJBAQ-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.44
Rot. Bonds8

About 4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide

4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 139349926) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
PubChem CID139349926
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
SMILESCn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CCC5CC54)cc(C4CC4)n3)c2)COC1
InChIInChI=1S/C28H32N6O2/c1-33-17-29-32-26(33)13-28(15-36-16-28)21-3-2-4-22(12-21)30-27(35)24-10-18(9-23(31-24)19-5-6-19)14-34-8-7-20-11-25(20)34/h2-4,9-10,12,17,19-20,25H,5-8,11,13-16H2,1H3,(H,30,35)
InChIKeyDFMVTXPBVBJBAQ-UHFFFAOYSA-N
XLogP3.44
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide (CID 139349926) is 4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide is Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CCC5CC54)cc(C4CC4)n3)c2)COC1.
What is the InChIKey of 4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is DFMVTXPBVBJBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-33-17-29-32-26(33)13-28(15-36-16-28)21-3-2-4-22(12-21)30-27(35)24-10-18(9-23(31-24)19-5-6-19)14-34-8-7-20-11-25(20)34/h2-4,9-10,12,17,19-20,25H,5-8,11,13-16H2,1H3,(H,30,35).
What are the key properties of 4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139349926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).