6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine

C15H19N5O — CID 90161049

IUPAC6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine
SMILESNc1cnc(N2CCOCC2)cc1NCc1cccnc1
InChIInChI=1S/C15H19N5O/c16-13-11-19-15(20-4-6-21-7-5-20)8-14(13)18-10-12-2-1-3-17-9-12/h1-3,8-9,11H,4-7,10,16H2,(H,18,19)
InChIKeyMXHKEQGGJXINOD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.51
Rot. Bonds4

About 6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine

6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine (PubChem CID 90161049) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine
PubChem CID90161049
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine
SMILESNc1cnc(N2CCOCC2)cc1NCc1cccnc1
InChIInChI=1S/C15H19N5O/c16-13-11-19-15(20-4-6-21-7-5-20)8-14(13)18-10-12-2-1-3-17-9-12/h1-3,8-9,11H,4-7,10,16H2,(H,18,19)
InChIKeyMXHKEQGGJXINOD-UHFFFAOYSA-N
XLogP1.51
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 43724741
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline
CID 167840965
6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542884
6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine
CID 123312240
6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 102078238
6-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112912257
N-(pyridin-3-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860746
6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112857915
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
4-bromo-1-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 43115534
[8-[[(5-amino-2-morpholin-4-yl-4-pyridinyl)amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-methylborinic acid
CID 153426117

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine (CID 90161049) is 6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine is Nc1cnc(N2CCOCC2)cc1NCc1cccnc1.
What is the InChIKey of 6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine?
The InChIKey is MXHKEQGGJXINOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-13-11-19-15(20-4-6-21-7-5-20)8-14(13)18-10-12-2-1-3-17-9-12/h1-3,8-9,11H,4-7,10,16H2,(H,18,19).
What are the key properties of 6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine?
6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine has a molecular weight of 285.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 90161049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).