ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate

C19H22FN3O2 — CID 68963376

IUPACethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1
InChIInChI=1S/C19H22FN3O2/c1-2-25-19(24)15-10-17(20)18(21-11-15)22-16-8-9-23(13-16)12-14-6-4-3-5-7-14/h3-7,10-11,16H,2,8-9,12-13H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyMTAJSLUCIKGUJY-MRXNPFEDSA-N
MW343.40 g/mol
LogP3.08
Rot. Bonds6

About ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate

ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate (PubChem CID 68963376) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate
PubChem CID68963376
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Nameethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1
InChIInChI=1S/C19H22FN3O2/c1-2-25-19(24)15-10-17(20)18(21-11-15)22-16-8-9-23(13-16)12-14-6-4-3-5-7-14/h3-7,10-11,16H,2,8-9,12-13H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyMTAJSLUCIKGUJY-MRXNPFEDSA-N
XLogP3.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-chloro-5-fluoropyridine-3-carboxylate
CID 86603759
ethyl 5-fluoro-6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate
CID 68966499
ethyl (E)-3-[6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-methyl-3-pyridinyl]prop-2-enoate
CID 86603664
ethyl (E)-3-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrimidin-5-yl]prop-2-enoate
CID 86603679
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
3-[6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-2-fluoroprop-2-enoic acid
CID 68960130
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate
CID 66570485
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
methyl 2-[(1-benzylpyrrolidin-3-yl)amino]-5-fluorobenzoate
CID 113223887
1-benzylpyrrolidin-3-amine;ethyl 2-[(1-benzylpyrrolidin-3-yl)amino]-6-oxo-1H-pyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 158544684
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate (CID 68963376) is ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate is CCOC(=O)c1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1.
What is the InChIKey of ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate?
The InChIKey is MTAJSLUCIKGUJY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-2-25-19(24)15-10-17(20)18(21-11-15)22-16-8-9-23(13-16)12-14-6-4-3-5-7-14/h3-7,10-11,16H,2,8-9,12-13H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate?
ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 68963376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).