N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine

C16H23N3O — CID 54146417

IUPACN,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine
SMILESCCN(CC)c1ccc2oc([C@@H]3CCCN3C)cc2n1
InChIInChI=1S/C16H23N3O/c1-4-19(5-2)16-9-8-14-12(17-16)11-15(20-14)13-7-6-10-18(13)3/h8-9,11,13H,4-7,10H2,1-3H3/t13-/m0/s1
InChIKeyOERRPXPCIALJFI-ZDUSSCGKSA-N
MW273.38 g/mol
LogP3.44
Rot. Bonds4

About N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine

N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine (PubChem CID 54146417) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine.

Molecular Properties

Compound NameN,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine
PubChem CID54146417
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine
SMILESCCN(CC)c1ccc2oc([C@@H]3CCCN3C)cc2n1
InChIInChI=1S/C16H23N3O/c1-4-19(5-2)16-9-8-14-12(17-16)11-15(20-14)13-7-6-10-18(13)3/h8-9,11,13H,4-7,10H2,1-3H3/t13-/m0/s1
InChIKeyOERRPXPCIALJFI-ZDUSSCGKSA-N
XLogP3.44
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrrolidin-2-yl)furo[2,3-b]pyridine
CID 19597591
5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole
CID 15186140
tert-butyl (2S)-2-(5-bromofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 18396225
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
N-[5-[(2S)-1-methylpyrrolidin-2-yl]furan-2-yl]acetamide
CID 57261470
5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine
CID 45141024
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide
CID 66899261
2-[(2R)-1-methylpyrrolidin-2-yl]-4,5-dihydrofuro[3,2-b]pyridine
CID 101082610
2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 62656149
5-[5-[methyl(2-propoxyethyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 143990391
N,N-diethyl-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide
CID 9322537

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine?
The IUPAC name of N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine (CID 54146417) is N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine.
What is the SMILES notation for N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine?
The canonical SMILES for N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine is CCN(CC)c1ccc2oc([C@@H]3CCCN3C)cc2n1.
What is the InChIKey of N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine?
The InChIKey is OERRPXPCIALJFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19(5-2)16-9-8-14-12(17-16)11-15(20-14)13-7-6-10-18(13)3/h8-9,11,13H,4-7,10H2,1-3H3/t13-/m0/s1.
What are the key properties of N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine?
N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine has a molecular weight of 273.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridin-5-amine is sourced from PubChem (CID 54146417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).