N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid

C11H13F3N4O3 — CID 146314123

IUPACN-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNc1cccc(NC(=O)C2CNC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H12N4O.C2HF3O2/c10-7-2-1-3-8(12-7)13-9(14)6-4-11-5-6;3-2(4,5)1(6)7/h1-3,6,11H,4-5H2,(H3,10,12,13,14);(H,6,7)
InChIKeyXKUJAVAFBWZENN-UHFFFAOYSA-N
MW306.24 g/mol
LogP0.46
Rot. Bonds2

About N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid

N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146314123) has the molecular formula C11H13F3N4O3 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146314123
Molecular FormulaC11H13F3N4O3
Molecular Weight306.24 g/mol
Exact Mass306.09
IUPAC NameN-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNc1cccc(NC(=O)C2CNC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H12N4O.C2HF3O2/c10-7-2-1-3-8(12-7)13-9(14)6-4-11-5-6;3-2(4,5)1(6)7/h1-3,6,11H,4-5H2,(H3,10,12,13,14);(H,6,7)
InChIKeyXKUJAVAFBWZENN-UHFFFAOYSA-N
XLogP0.46
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-2-pyridinyl)azetidine-3-carboxamide;hydrochloride
CID 142435091
N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146314368
N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146314378
N-(2-methyl-1,2,4-triazol-3-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146314102
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 43185838
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-(6-amino-2-pyridinyl)-1-methylcyclopropane-1-carboxamide
CID 166314352
N-(6-amino-2-pyridinyl)-2,3-dimethylbutanamide
CID 121221980
6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid
CID 64767181

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 146314123) is N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid is Nc1cccc(NC(=O)C2CNC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XKUJAVAFBWZENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O.C2HF3O2/c10-7-2-1-3-8(12-7)13-9(14)6-4-11-5-6;3-2(4,5)1(6)7/h1-3,6,11H,4-5H2,(H3,10,12,13,14);(H,6,7).
What are the key properties of N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 306.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-pyridinyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146314123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).