N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine

C20H29N5O — CID 119047892

IUPACN-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(C)c1ccc(CNCc2cccnc2N2CCOCC2)cn1
InChIInChI=1S/C20H29N5O/c1-16(2)24(3)19-7-6-17(14-23-19)13-21-15-18-5-4-8-22-20(18)25-9-11-26-12-10-25/h4-8,14,16,21H,9-13,15H2,1-3H3
InChIKeyXXTHRTFFWWVYLE-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.45
Rot. Bonds7

About N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine

N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine (PubChem CID 119047892) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine
PubChem CID119047892
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(C)c1ccc(CNCc2cccnc2N2CCOCC2)cn1
InChIInChI=1S/C20H29N5O/c1-16(2)24(3)19-7-6-17(14-23-19)13-21-15-18-5-4-8-22-20(18)25-9-11-26-12-10-25/h4-8,14,16,21H,9-13,15H2,1-3H3
InChIKeyXXTHRTFFWWVYLE-UHFFFAOYSA-N
XLogP2.45
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine (CID 119047892) is N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine is CC(C)N(C)c1ccc(CNCc2cccnc2N2CCOCC2)cn1.
What is the InChIKey of N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is XXTHRTFFWWVYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16(2)24(3)19-7-6-17(14-23-19)13-21-15-18-5-4-8-22-20(18)25-9-11-26-12-10-25/h4-8,14,16,21H,9-13,15H2,1-3H3.
What are the key properties of N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine?
N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 355.49 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 119047892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).