N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine

C19H26N4O — CID 51086142

IUPACN,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine
SMILESCN(C)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C19H26N4O/c1-22(2)19-8-5-17(15-21-19)14-20-13-16-3-6-18(7-4-16)23-9-11-24-12-10-23/h3-8,15,20H,9-14H2,1-2H3
InChIKeyCRRVWGKXUAUYTJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.27
Rot. Bonds6

About N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine

N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine (PubChem CID 51086142) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine
PubChem CID51086142
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine
SMILESCN(C)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C19H26N4O/c1-22(2)19-8-5-17(15-21-19)14-20-13-16-3-6-18(7-4-16)23-9-11-24-12-10-23/h3-8,15,20H,9-14H2,1-2H3
InChIKeyCRRVWGKXUAUYTJ-UHFFFAOYSA-N
XLogP2.27
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine (CID 51086142) is N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine is CN(C)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1.
What is the InChIKey of N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine?
The InChIKey is CRRVWGKXUAUYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-22(2)19-8-5-17(15-21-19)14-20-13-16-3-6-18(7-4-16)23-9-11-24-12-10-23/h3-8,15,20H,9-14H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine?
N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine has a molecular weight of 326.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(4-morpholin-4-ylphenyl)methylamino]methyl]pyridin-2-amine is sourced from PubChem (CID 51086142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).