N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine

C21H30N4O2 — CID 124847962

IUPACN-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CN[C@H]2CCN(c3ccccc3OC)C2)cn1
InChIInChI=1S/C21H30N4O2/c1-24(12-13-26-2)21-9-8-17(15-23-21)14-22-18-10-11-25(16-18)19-6-4-5-7-20(19)27-3/h4-9,15,18,22H,10-14,16H2,1-3H3/t18-/m0/s1
InChIKeyLXPATZAQKJZNCV-SFHVURJKSA-N
MW370.50 g/mol
LogP2.54
Rot. Bonds9

About N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine

N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine (PubChem CID 124847962) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine
PubChem CID124847962
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CN[C@H]2CCN(c3ccccc3OC)C2)cn1
InChIInChI=1S/C21H30N4O2/c1-24(12-13-26-2)21-9-8-17(15-23-21)14-22-18-10-11-25(16-18)19-6-4-5-7-20(19)27-3/h4-9,15,18,22H,10-14,16H2,1-3H3/t18-/m0/s1
InChIKeyLXPATZAQKJZNCV-SFHVURJKSA-N
XLogP2.54
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine with MolForge

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008122
5-[(cyclopropylamino)methyl]-N-methyl-N-phenylpyridin-2-amine
CID 62285256
N-(2-methoxyethyl)-N-methyl-5-[[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]methyl]pyridin-2-amine
CID 124726400
N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124847594
(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol
CID 129434601
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112662259
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120840257
N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124729154
N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124729153
N-(2-methoxyethyl)-N-methyl-5-[(2-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120837108
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine (CID 124847962) is N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine is COCCN(C)c1ccc(CN[C@H]2CCN(c3ccccc3OC)C2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine?
The InChIKey is LXPATZAQKJZNCV-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-24(12-13-26-2)21-9-8-17(15-23-21)14-22-18-10-11-25(16-18)19-6-4-5-7-20(19)27-3/h4-9,15,18,22H,10-14,16H2,1-3H3/t18-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine?
N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine has a molecular weight of 370.50 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 124847962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).