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

C19H23N3O2 — CID 95139694

IUPACN-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESc1ccc(NC[C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-7-20-19(3-1)21-12-16-6-8-22(14-16)13-15-4-5-17-18(11-15)24-10-9-23-17/h1-5,7,11,16H,6,8-10,12-14H2,(H,20,21)/t16-/m0/s1
InChIKeyQQRHHBKTVOULJJ-INIZCTEOSA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds5

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

N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 95139694) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID95139694
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESc1ccc(NC[C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-7-20-19(3-1)21-12-16-6-8-22(14-16)13-15-4-5-17-18(11-15)24-10-9-23-17/h1-5,7,11,16H,6,8-10,12-14H2,(H,20,21)/t16-/m0/s1
InChIKeyQQRHHBKTVOULJJ-INIZCTEOSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine
CID 139834918
1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
CID 86773811
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204325
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95137123
[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methanamine
CID 22115337
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetic acid
CID 79609676
1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 95206581
N-[[(3S)-1-[3-(1,3-benzoxazol-2-yl)propyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95137681
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 110104068
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-8-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]oxyquinolin-2-amine
CID 10481964

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 95139694) is N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine is c1ccc(NC[C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)nc1.
What is the InChIKey of N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is QQRHHBKTVOULJJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-7-20-19(3-1)21-12-16-6-8-22(14-16)13-15-4-5-17-18(11-15)24-10-9-23-17/h1-5,7,11,16H,6,8-10,12-14H2,(H,20,21)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 325.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95139694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).