N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine

C20H21N5O — CID 139019312

IUPACN-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine
SMILESc1cc(CNc2ccc(-c3ccncc3)cn2)nc(N2CCOCC2)c1
InChIInChI=1S/C20H21N5O/c1-2-18(24-20(3-1)25-10-12-26-13-11-25)15-23-19-5-4-17(14-22-19)16-6-8-21-9-7-16/h1-9,14H,10-13,15H2,(H,22,23)
InChIKeyRZGKZVRGYMBDDG-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.99
Rot. Bonds5

About N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine

N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine (PubChem CID 139019312) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine
PubChem CID139019312
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine
SMILESc1cc(CNc2ccc(-c3ccncc3)cn2)nc(N2CCOCC2)c1
InChIInChI=1S/C20H21N5O/c1-2-18(24-20(3-1)25-10-12-26-13-11-25)15-23-19-5-4-17(14-22-19)16-6-8-21-9-7-16/h1-9,14H,10-13,15H2,(H,22,23)
InChIKeyRZGKZVRGYMBDDG-UHFFFAOYSA-N
XLogP2.99
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine?
The IUPAC name of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine (CID 139019312) is N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine.
What is the SMILES notation for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine?
The canonical SMILES for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine is c1cc(CNc2ccc(-c3ccncc3)cn2)nc(N2CCOCC2)c1.
What is the InChIKey of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine?
The InChIKey is RZGKZVRGYMBDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-18(24-20(3-1)25-10-12-26-13-11-25)15-23-19-5-4-17(14-22-19)16-6-8-21-9-7-16/h1-9,14H,10-13,15H2,(H,22,23).
What are the key properties of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine?
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine has a molecular weight of 347.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 139019312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).