N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine

C19H23N3O2 — CID 139834918

IUPACN-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine
SMILESc1ccc(NCCN2CCC(c3ccc4c(c3)OCCO4)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-7-20-19(3-1)21-8-10-22-9-6-16(14-22)15-4-5-17-18(13-15)24-12-11-23-17/h1-5,7,13,16H,6,8-12,14H2,(H,20,21)
InChIKeyHPFKVWOJADSFPZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.75
Rot. Bonds5

About N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine

N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine (PubChem CID 139834918) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine
PubChem CID139834918
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine
SMILESc1ccc(NCCN2CCC(c3ccc4c(c3)OCCO4)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-7-20-19(3-1)21-8-10-22-9-6-16(14-22)15-4-5-17-18(13-15)24-12-11-23-17/h1-5,7,13,16H,6,8-12,14H2,(H,20,21)
InChIKeyHPFKVWOJADSFPZ-UHFFFAOYSA-N
XLogP2.75
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol
CID 140995584
N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine
CID 70339719
N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95139694
[3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenyl] trifluoromethanesulfonate;[3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenyl] trifluoromethanesulfonate
CID 158152030
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 125155199
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 667446
(NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-phenylpyrrolidin-1-yl]butylidene]hydroxylamine
CID 7367290
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyrimidin-5-ylpyrrolidin-1-yl)propan-1-one
CID 178137392
3-(4-chlorophenyl)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 155273075
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]-3-(3-methylphenyl)pyrrolidine
CID 178137340
N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine
CID 97139068
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpyrrolidine
CID 173048470

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine?
The IUPAC name of N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine (CID 139834918) is N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine?
The canonical SMILES for N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine is c1ccc(NCCN2CCC(c3ccc4c(c3)OCCO4)C2)nc1.
What is the InChIKey of N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine?
The InChIKey is HPFKVWOJADSFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-7-20-19(3-1)21-8-10-22-9-6-16(14-22)15-4-5-17-18(13-15)24-12-11-23-17/h1-5,7,13,16H,6,8-12,14H2,(H,20,21).
What are the key properties of N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine?
N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine has a molecular weight of 325.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 139834918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).