cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride

C30H39ClF2N6O5 — CID 163841315

IUPACcyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(F)nc2)C1.CN[C@H]1CCN(C(=O)c2ccc(F)nc2)C1.Cl.O=C(O)C1CC1
InChIInChI=1S/C15H18FN3O2.C11H14FN3O.C4H6O2.ClH/c1-18(14(20)10-2-3-10)12-6-7-19(9-12)15(21)11-4-5-13(16)17-8-11;1-13-9-4-5-15(7-9)11(16)8-2-3-10(12)14-6-8;5-4(6)3-1-2-3;/h4-5,8,10,12H,2-3,6-7,9H2,1H3;2-3,6,9,13H,4-5,7H2,1H3;3H,1-2H2,(H,5,6);1H/t12-;9-;;/m00../s1
InChIKeyBPRWPCIWIRLSRV-PGPBKTSMSA-N
MW637.13 g/mol
LogP2.86
Rot. Bonds6

About cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride

cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 163841315) has the molecular formula C30H39ClF2N6O5 and a molecular weight of 637.13 g/mol. Its IUPAC name is cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID163841315
Molecular FormulaC30H39ClF2N6O5
Molecular Weight637.13 g/mol
Exact Mass636.26
IUPAC Namecyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(F)nc2)C1.CN[C@H]1CCN(C(=O)c2ccc(F)nc2)C1.Cl.O=C(O)C1CC1
InChIInChI=1S/C15H18FN3O2.C11H14FN3O.C4H6O2.ClH/c1-18(14(20)10-2-3-10)12-6-7-19(9-12)15(21)11-4-5-13(16)17-8-11;1-13-9-4-5-15(7-9)11(16)8-2-3-10(12)14-6-8;5-4(6)3-1-2-3;/h4-5,8,10,12H,2-3,6-7,9H2,1H3;2-3,6,9,13H,4-5,7H2,1H3;3H,1-2H2,(H,5,6);1H/t12-;9-;;/m00../s1
InChIKeyBPRWPCIWIRLSRV-PGPBKTSMSA-N
XLogP2.86
TPSA136.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.13
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (CID 163841315) is cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(F)nc2)C1.CN[C@H]1CCN(C(=O)c2ccc(F)nc2)C1.Cl.O=C(O)C1CC1.
What is the InChIKey of cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is BPRWPCIWIRLSRV-PGPBKTSMSA-N. The full InChI is InChI=1S/C15H18FN3O2.C11H14FN3O.C4H6O2.ClH/c1-18(14(20)10-2-3-10)12-6-7-19(9-12)15(21)11-4-5-13(16)17-8-11;1-13-9-4-5-15(7-9)11(16)8-2-3-10(12)14-6-8;5-4(6)3-1-2-3;/h4-5,8,10,12H,2-3,6-7,9H2,1H3;2-3,6,9,13H,4-5,7H2,1H3;3H,1-2H2,(H,5,6);1H/t12-;9-;;/m00../s1.
What are the key properties of cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 637.13 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxylic acid;N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;(6-fluoro-3-pyridinyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 163841315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).