N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine

C18H23N3O — CID 124595693

IUPACN-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(CN2CC[C@H](CNc3ccccn3)C2)cc1
InChIInChI=1S/C18H23N3O/c1-22-17-7-5-15(6-8-17)13-21-11-9-16(14-21)12-20-18-4-2-3-10-19-18/h2-8,10,16H,9,11-14H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeySTJSPPTWUKQNDG-MRXNPFEDSA-N
MW297.40 g/mol
LogP3.02
Rot. Bonds6

About N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine

N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 124595693) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID124595693
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(CN2CC[C@H](CNc3ccccn3)C2)cc1
InChIInChI=1S/C18H23N3O/c1-22-17-7-5-15(6-8-17)13-21-11-9-16(14-21)12-20-18-4-2-3-10-19-18/h2-8,10,16H,9,11-14H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeySTJSPPTWUKQNDG-MRXNPFEDSA-N
XLogP3.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482531
N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95139694
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95137123
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
CID 86773811
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 99638683
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133277590
3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 86864451
N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980706

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 124595693) is N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is COc1ccc(CN2CC[C@H](CNc3ccccn3)C2)cc1.
What is the InChIKey of N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is STJSPPTWUKQNDG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O/c1-22-17-7-5-15(6-8-17)13-21-11-9-16(14-21)12-20-18-4-2-3-10-19-18/h2-8,10,16H,9,11-14H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 297.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 124595693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).