N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine

C23H32N4O — CID 100681063

IUPACN-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine
SMILESCc1nc(N2CCOCC2)ccc1N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H32N4O/c1-18(21-10-11-26(17-21)16-20-6-4-3-5-7-20)24-22-8-9-23(25-19(22)2)27-12-14-28-15-13-27/h3-9,18,21,24H,10-17H2,1-2H3/t18-,21-/m1/s1
InChIKeySBEHPXXFVYHFCC-WIYYLYMNSA-N
MW380.54 g/mol
LogP3.55
Rot. Bonds6

About N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine

N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine (PubChem CID 100681063) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine
PubChem CID100681063
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine
SMILESCc1nc(N2CCOCC2)ccc1N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H32N4O/c1-18(21-10-11-26(17-21)16-20-6-4-3-5-7-20)24-22-8-9-23(25-19(22)2)27-12-14-28-15-13-27/h3-9,18,21,24H,10-17H2,1-2H3/t18-,21-/m1/s1
InChIKeySBEHPXXFVYHFCC-WIYYLYMNSA-N
XLogP3.55
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-(1-benzylpyrrolidin-3-yl)ethylthiourea
CID 131219663
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
CID 97341089
1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine
CID 166097327
(S)-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanamine
CID 124502498
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine
CID 125137183
1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
CID 82390240
N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995172
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 75448910
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1,3-dithiolane-2-carboxamide
CID 125137166
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide
CID 124739763

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine?
The IUPAC name of N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine (CID 100681063) is N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine is Cc1nc(N2CCOCC2)ccc1N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine?
The InChIKey is SBEHPXXFVYHFCC-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H32N4O/c1-18(21-10-11-26(17-21)16-20-6-4-3-5-7-20)24-22-8-9-23(25-19(22)2)27-12-14-28-15-13-27/h3-9,18,21,24H,10-17H2,1-2H3/t18-,21-/m1/s1.
What are the key properties of N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine?
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine has a molecular weight of 380.54 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 100681063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).