N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide

C18H23ClN6O3 — CID 168880255

IUPACN-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide
SMILESCNc1c(N)ncc(Oc2ccnc(NC(=O)CC3CN(C)CCO3)c2)c1Cl
InChIInChI=1S/C18H23ClN6O3/c1-21-17-16(19)13(9-23-18(17)20)28-11-3-4-22-14(7-11)24-15(26)8-12-10-25(2)5-6-27-12/h3-4,7,9,12,21H,5-6,8,10H2,1-2H3,(H2,20,23)(H,22,24,26)
InChIKeyJYKCMNITKYZJNN-UHFFFAOYSA-N
MW406.87 g/mol
LogP2.21
Rot. Bonds6

About N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide

N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide (PubChem CID 168880255) has the molecular formula C18H23ClN6O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide
PubChem CID168880255
Molecular FormulaC18H23ClN6O3
Molecular Weight406.87 g/mol
Exact Mass406.15
IUPAC NameN-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide
SMILESCNc1c(N)ncc(Oc2ccnc(NC(=O)CC3CN(C)CCO3)c2)c1Cl
InChIInChI=1S/C18H23ClN6O3/c1-21-17-16(19)13(9-23-18(17)20)28-11-3-4-22-14(7-11)24-15(26)8-12-10-25(2)5-6-27-12/h3-4,7,9,12,21H,5-6,8,10H2,1-2H3,(H2,20,23)(H,22,24,26)
InChIKeyJYKCMNITKYZJNN-UHFFFAOYSA-N
XLogP2.21
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide?
The IUPAC name of N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide (CID 168880255) is N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide.
What is the SMILES notation for N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide?
The canonical SMILES for N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide is CNc1c(N)ncc(Oc2ccnc(NC(=O)CC3CN(C)CCO3)c2)c1Cl.
What is the InChIKey of N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide?
The InChIKey is JYKCMNITKYZJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O3/c1-21-17-16(19)13(9-23-18(17)20)28-11-3-4-22-14(7-11)24-15(26)8-12-10-25(2)5-6-27-12/h3-4,7,9,12,21H,5-6,8,10H2,1-2H3,(H2,20,23)(H,22,24,26).
What are the key properties of N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide?
N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide has a molecular weight of 406.87 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide is sourced from PubChem (CID 168880255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).