2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid

C13H16FN3O2 — CID 105382170

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCN(C3CC3)C2)c1F
InChIInChI=1S/C13H16FN3O2/c14-11-10(13(18)19)3-5-15-12(11)16-8-4-6-17(7-8)9-1-2-9/h3,5,8-9H,1-2,4,6-7H2,(H,15,16)(H,18,19)
InChIKeyKOGBFFSQLXFDDZ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.57
Rot. Bonds4

About 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid

2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382170) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid
PubChem CID105382170
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCN(C3CC3)C2)c1F
InChIInChI=1S/C13H16FN3O2/c14-11-10(13(18)19)3-5-15-12(11)16-8-4-6-17(7-8)9-1-2-9/h3,5,8-9H,1-2,4,6-7H2,(H,15,16)(H,18,19)
InChIKeyKOGBFFSQLXFDDZ-UHFFFAOYSA-N
XLogP1.57
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382661
3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 105382560
3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 107062071
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine
CID 106538206
4-chloro-2-[(1-cyclopropylpyrrolidin-3-yl)amino]benzoic acid
CID 63081661
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 154499566
1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine
CID 107643590
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388522
methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate
CID 156518071

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid (CID 105382170) is 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid is O=C(O)c1ccnc(NC2CCN(C3CC3)C2)c1F.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid?
The InChIKey is KOGBFFSQLXFDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-11-10(13(18)19)3-5-15-12(11)16-8-4-6-17(7-8)9-1-2-9/h3,5,8-9H,1-2,4,6-7H2,(H,15,16)(H,18,19).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid?
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).