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

C23H25N5O2 — CID 139349858

IUPAC6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)c1
InChIInChI=1S/C23H25N5O2/c1-15-8-19(16-6-7-16)26-20(9-15)22(29)25-18-5-3-4-17(10-18)23(12-30-13-23)11-21-27-24-14-28(21)2/h3-5,8-10,14,16H,6-7,11-13H2,1-2H3,(H,25,29)
InChIKeyMJMWTZAVYRNICT-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.16
Rot. Bonds6

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

6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 139349858) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
PubChem CID139349858
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)c1
InChIInChI=1S/C23H25N5O2/c1-15-8-19(16-6-7-16)26-20(9-15)22(29)25-18-5-3-4-17(10-18)23(12-30-13-23)11-21-27-24-14-28(21)2/h3-5,8-10,14,16H,6-7,11-13H2,1-2H3,(H,25,29)
InChIKeyMJMWTZAVYRNICT-UHFFFAOYSA-N
XLogP3.16
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide (CID 139349858) is 6-cyclopropyl-4-methyl-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 6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide is Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)c1.
What is the InChIKey of 6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is MJMWTZAVYRNICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-8-19(16-6-7-16)26-20(9-15)22(29)25-18-5-3-4-17(10-18)23(12-30-13-23)11-21-27-24-14-28(21)2/h3-5,8-10,14,16H,6-7,11-13H2,1-2H3,(H,25,29).
What are the key properties of 6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139349858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).