N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide

C22H20ClN5O2 — CID 135491763

IUPACN-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide
SMILESCN(c1ccc(Cl)cc1)c1ccc(O)c(-c2ccc(CNC(=O)CC#N)c(N)n2)c1
InChIInChI=1S/C22H20ClN5O2/c1-28(16-5-3-15(23)4-6-16)17-7-9-20(29)18(12-17)19-8-2-14(22(25)27-19)13-26-21(30)10-11-24/h2-9,12,29H,10,13H2,1H3,(H2,25,27)(H,26,30)
InChIKeyMTCXMAFJAZASRI-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.99
Rot. Bonds6

About N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide

N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide (PubChem CID 135491763) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide
PubChem CID135491763
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC NameN-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide
SMILESCN(c1ccc(Cl)cc1)c1ccc(O)c(-c2ccc(CNC(=O)CC#N)c(N)n2)c1
InChIInChI=1S/C22H20ClN5O2/c1-28(16-5-3-15(23)4-6-16)17-7-9-20(29)18(12-17)19-8-2-14(22(25)27-19)13-26-21(30)10-11-24/h2-9,12,29H,10,13H2,1H3,(H2,25,27)(H,26,30)
InChIKeyMTCXMAFJAZASRI-UHFFFAOYSA-N
XLogP3.99
TPSA115.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide?
The IUPAC name of N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide (CID 135491763) is N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide.
What is the SMILES notation for N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide?
The canonical SMILES for N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide is CN(c1ccc(Cl)cc1)c1ccc(O)c(-c2ccc(CNC(=O)CC#N)c(N)n2)c1.
What is the InChIKey of N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide?
The InChIKey is MTCXMAFJAZASRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-28(16-5-3-15(23)4-6-16)17-7-9-20(29)18(12-17)19-8-2-14(22(25)27-19)13-26-21(30)10-11-24/h2-9,12,29H,10,13H2,1H3,(H2,25,27)(H,26,30).
What are the key properties of N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide?
N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide has a molecular weight of 421.89 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide is sourced from PubChem (CID 135491763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).