N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C19H26FN5O2 — CID 69462125

IUPACN,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCNC(C)(C)C.O=C(O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1
InChIInChI=1S/C14H13FN4O2.C5H13N/c15-11-3-1-2-4-13(11)19-9-12(16-17-19)10-5-7-18(8-6-10)14(20)21;1-5(2,3)6-4/h1-5,9H,6-8H2,(H,20,21);6H,1-4H3
InChIKeyCAVDEDWNEKZJIM-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.18
Rot. Bonds2

About N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 69462125) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound NameN,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID69462125
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC NameN,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCNC(C)(C)C.O=C(O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1
InChIInChI=1S/C14H13FN4O2.C5H13N/c15-11-3-1-2-4-13(11)19-9-12(16-17-19)10-5-7-18(8-6-10)14(20)21;1-5(2,3)6-4/h1-5,9H,6-8H2,(H,20,21);6H,1-4H3
InChIKeyCAVDEDWNEKZJIM-UHFFFAOYSA-N
XLogP3.18
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid with MolForge

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Related Compounds

1-[4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
CID 44588429
4-(1-phenyltriazol-4-yl)-3,6-dihydro-2H-pyridine-1-carbonyl iodide
CID 143163469
tert-butyl 4-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58945867
1-methoxyethyl 4-[1-(2-chloro-3-pyridinyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 87452495
4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 121414958
propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58945831
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 174609666
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169423
4-[3-[(1S)-1-hydroxy-2-methoxy-2-oxo-1-phenylethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 159113094
1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167487
4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 69141777

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 69462125) is N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is CNC(C)(C)C.O=C(O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1.
What is the InChIKey of N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is CAVDEDWNEKZJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2.C5H13N/c15-11-3-1-2-4-13(11)19-9-12(16-17-19)10-5-7-18(8-6-10)14(20)21;1-5(2,3)6-4/h1-5,9H,6-8H2,(H,20,21);6H,1-4H3.
What are the key properties of N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 375.45 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 69462125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).