2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide

C20H21FN6O — CID 97346553

IUPAC2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1
InChIInChI=1S/C20H21FN6O/c1-26(2)19-16(4-3-11-22-19)20(28)23-15-9-10-17-24-25-18(27(17)12-15)13-5-7-14(21)8-6-13/h3-8,11,15H,9-10,12H2,1-2H3,(H,23,28)/t15-/m1/s1
InChIKeyQLUJKNTZGVFGLP-OAHLLOKOSA-N
MW380.43 g/mol
LogP2.29
Rot. Bonds4

About 2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide

2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide (PubChem CID 97346553) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide
PubChem CID97346553
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1
InChIInChI=1S/C20H21FN6O/c1-26(2)19-16(4-3-11-22-19)20(28)23-15-9-10-17-24-25-18(27(17)12-15)13-5-7-14(21)8-6-13/h3-8,11,15H,9-10,12H2,1-2H3,(H,23,28)/t15-/m1/s1
InChIKeyQLUJKNTZGVFGLP-OAHLLOKOSA-N
XLogP2.29
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide (CID 97346553) is 2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1.
What is the InChIKey of 2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide?
The InChIKey is QLUJKNTZGVFGLP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-26(2)19-16(4-3-11-22-19)20(28)23-15-9-10-17-24-25-18(27(17)12-15)13-5-7-14(21)8-6-13/h3-8,11,15H,9-10,12H2,1-2H3,(H,23,28)/t15-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 97346553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).