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

C23H35N5O — CID 124847594

IUPACN-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
SMILESCOCCN(C)c1ccc(CN[C@H](C)CN2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C23H35N5O/c1-20(19-27-11-13-28(14-12-27)22-7-5-4-6-8-22)24-17-21-9-10-23(25-18-21)26(2)15-16-29-3/h4-10,18,20,24H,11-17,19H2,1-3H3/t20-/m1/s1
InChIKeyLBXFWYYXLCWUIQ-HXUWFJFHSA-N
MW397.57 g/mol
LogP2.46
Rot. Bonds10

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

N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine (PubChem CID 124847594) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
PubChem CID124847594
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC NameN-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
SMILESCOCCN(C)c1ccc(CN[C@H](C)CN2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C23H35N5O/c1-20(19-27-11-13-28(14-12-27)22-7-5-4-6-8-22)24-17-21-9-10-23(25-18-21)26(2)15-16-29-3/h4-10,18,20,24H,11-17,19H2,1-3H3/t20-/m1/s1
InChIKeyLBXFWYYXLCWUIQ-HXUWFJFHSA-N
XLogP2.46
TPSA43.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine (CID 124847594) is N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine is COCCN(C)c1ccc(CN[C@H](C)CN2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine?
The InChIKey is LBXFWYYXLCWUIQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H35N5O/c1-20(19-27-11-13-28(14-12-27)22-7-5-4-6-8-22)24-17-21-9-10-23(25-18-21)26(2)15-16-29-3/h4-10,18,20,24H,11-17,19H2,1-3H3/t20-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine?
N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine has a molecular weight of 397.57 g/mol, XLogP of 2.46, 10 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-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 124847594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).