N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine

C18H33N5O — CID 124729153

IUPACN-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
SMILESCOCCN(C)c1ccc(CN[C@@H](C)CN2CCN(C)CC2)cn1
InChIInChI=1S/C18H33N5O/c1-16(15-23-9-7-21(2)8-10-23)19-13-17-5-6-18(20-14-17)22(3)11-12-24-4/h5-6,14,16,19H,7-13,15H2,1-4H3/t16-/m0/s1
InChIKeyFWTUDMMQTDRYIA-INIZCTEOSA-N
MW335.50 g/mol
LogP0.89
Rot. Bonds9

About N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine

N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine (PubChem CID 124729153) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
PubChem CID124729153
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC NameN-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
SMILESCOCCN(C)c1ccc(CN[C@@H](C)CN2CCN(C)CC2)cn1
InChIInChI=1S/C18H33N5O/c1-16(15-23-9-7-21(2)8-10-23)19-13-17-5-6-18(20-14-17)22(3)11-12-24-4/h5-6,14,16,19H,7-13,15H2,1-4H3/t16-/m0/s1
InChIKeyFWTUDMMQTDRYIA-INIZCTEOSA-N
XLogP0.89
TPSA43.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124847594
N-(2-methoxyethyl)-N-methyl-5-[[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]methyl]pyridin-2-amine
CID 124726400
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 80638766
1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 119047897
5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120838198
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 119047908
N-(2-methoxyethyl)-N-methyl-5-[[(5-phenyl-1H-pyrazol-4-yl)amino]methyl]pyridin-2-amine
CID 154840009
5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 119047916
N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120840257
5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008122

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine (CID 124729153) is N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine is COCCN(C)c1ccc(CN[C@@H](C)CN2CCN(C)CC2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine?
The InChIKey is FWTUDMMQTDRYIA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33N5O/c1-16(15-23-9-7-21(2)8-10-23)19-13-17-5-6-18(20-14-17)22(3)11-12-24-4/h5-6,14,16,19H,7-13,15H2,1-4H3/t16-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine?
N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine has a molecular weight of 335.50 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 124729153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).