1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid

C16H14FN3O3 — CID 137463496

IUPAC1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CCC2)cn1)c1cncc(F)c1
InChIInChI=1S/C16H14FN3O3/c17-12-6-10(7-18-9-12)14(21)20-13-3-2-11(8-19-13)16(15(22)23)4-1-5-16/h2-3,6-9H,1,4-5H2,(H,22,23)(H,19,20,21)
InChIKeyOSDSRXPHLYXHLC-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.37
Rot. Bonds4

About 1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid

1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid (PubChem CID 137463496) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid
PubChem CID137463496
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CCC2)cn1)c1cncc(F)c1
InChIInChI=1S/C16H14FN3O3/c17-12-6-10(7-18-9-12)14(21)20-13-3-2-11(8-19-13)16(15(22)23)4-1-5-16/h2-3,6-9H,1,4-5H2,(H,22,23)(H,19,20,21)
InChIKeyOSDSRXPHLYXHLC-UHFFFAOYSA-N
XLogP2.37
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 113452818
N-(5-amino-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 104785368
N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 137464366
1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 104785488
(5-fluoro-3-pyridinyl)-(1-phenylcyclopropyl)methanone
CID 63080715
3-[(5-fluoropyridine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 104785610
N-(6-chloropyrazin-2-yl)-5-fluoropyridine-3-carboxamide
CID 104819879
N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide
CID 142525007
5-fluoro-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 142723977
5-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 113287958
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 104785444

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid (CID 137463496) is 1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid is O=C(Nc1ccc(C2(C(=O)O)CCC2)cn1)c1cncc(F)c1.
What is the InChIKey of 1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid?
The InChIKey is OSDSRXPHLYXHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c17-12-6-10(7-18-9-12)14(21)20-13-3-2-11(8-19-13)16(15(22)23)4-1-5-16/h2-3,6-9H,1,4-5H2,(H,22,23)(H,19,20,21).
What are the key properties of 1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid?
1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid has a molecular weight of 315.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 137463496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).