N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

C27H26N8O2 — CID 155157633

IUPACN-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESCC1(C)CCc2nnc(-c3cccc(NC(=O)c4cc5c(cn4)CCN(C(=O)c4ccccn4)C5)n3)n21
InChIInChI=1S/C27H26N8O2/c1-27(2)11-9-23-32-33-24(35(23)27)19-7-5-8-22(30-19)31-25(36)21-14-18-16-34(13-10-17(18)15-29-21)26(37)20-6-3-4-12-28-20/h3-8,12,14-15H,9-11,13,16H2,1-2H3,(H,30,31,36)
InChIKeyOADGXRIJBSJVBS-UHFFFAOYSA-N
MW494.56 g/mol
LogP3.26
Rot. Bonds4

About N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (PubChem CID 155157633) has the molecular formula C27H26N8O2 and a molecular weight of 494.56 g/mol. Its IUPAC name is N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
PubChem CID155157633
Molecular FormulaC27H26N8O2
Molecular Weight494.56 g/mol
Exact Mass494.22
IUPAC NameN-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESCC1(C)CCc2nnc(-c3cccc(NC(=O)c4cc5c(cn4)CCN(C(=O)c4ccccn4)C5)n3)n21
InChIInChI=1S/C27H26N8O2/c1-27(2)11-9-23-32-33-24(35(23)27)19-7-5-8-22(30-19)31-25(36)21-14-18-16-34(13-10-17(18)15-29-21)26(37)20-6-3-4-12-28-20/h3-8,12,14-15H,9-11,13,16H2,1-2H3,(H,30,31,36)
InChIKeyOADGXRIJBSJVBS-UHFFFAOYSA-N
XLogP3.26
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (CID 155157633) is N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is CC1(C)CCc2nnc(-c3cccc(NC(=O)c4cc5c(cn4)CCN(C(=O)c4ccccn4)C5)n3)n21.
What is the InChIKey of N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The InChIKey is OADGXRIJBSJVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O2/c1-27(2)11-9-23-32-33-24(35(23)27)19-7-5-8-22(30-19)31-25(36)21-14-18-16-34(13-10-17(18)15-29-21)26(37)20-6-3-4-12-28-20/h3-8,12,14-15H,9-11,13,16H2,1-2H3,(H,30,31,36).
What are the key properties of N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide has a molecular weight of 494.56 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 155157633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).