3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine

C20H28N6O3 — CID 171820277

IUPAC3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine
SMILESCNC.[H]/N=C(\C=O)c1c(NCC)nc(C(N)=O)c(N)c1-c1c(C)ccc(O)c1C
InChIInChI=1S/C18H21N5O3.C2H7N/c1-4-22-18-13(10(19)7-24)14(15(20)16(23-18)17(21)26)12-8(2)5-6-11(25)9(12)3;1-3-2/h5-7,19,25H,4,20H2,1-3H3,(H2,21,26)(H,22,23);3H,1-2H3/b19-10+;
InChIKeyWXEUFRGKQBJQNH-ZIOFAICLSA-N
MW400.48 g/mol
LogP1.59
Rot. Bonds6

About 3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine

3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine (PubChem CID 171820277) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine.

Molecular Properties

Compound Name3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine
PubChem CID171820277
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine
SMILESCNC.[H]/N=C(\C=O)c1c(NCC)nc(C(N)=O)c(N)c1-c1c(C)ccc(O)c1C
InChIInChI=1S/C18H21N5O3.C2H7N/c1-4-22-18-13(10(19)7-24)14(15(20)16(23-18)17(21)26)12-8(2)5-6-11(25)9(12)3;1-3-2/h5-7,19,25H,4,20H2,1-3H3,(H2,21,26)(H,22,23);3H,1-2H3/b19-10+;
InChIKeyWXEUFRGKQBJQNH-ZIOFAICLSA-N
XLogP1.59
TPSA167.21 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 51.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine?
The IUPAC name of 3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine (CID 171820277) is 3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine.
What is the SMILES notation for 3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine?
The canonical SMILES for 3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine is CNC.[H]/N=C(\C=O)c1c(NCC)nc(C(N)=O)c(N)c1-c1c(C)ccc(O)c1C.
What is the InChIKey of 3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine?
The InChIKey is WXEUFRGKQBJQNH-ZIOFAICLSA-N. The full InChI is InChI=1S/C18H21N5O3.C2H7N/c1-4-22-18-13(10(19)7-24)14(15(20)16(23-18)17(21)26)12-8(2)5-6-11(25)9(12)3;1-3-2/h5-7,19,25H,4,20H2,1-3H3,(H2,21,26)(H,22,23);3H,1-2H3/b19-10+;.
What are the key properties of 3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine?
3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine has a molecular weight of 400.48 g/mol, XLogP of 1.59, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine is sourced from PubChem (CID 171820277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).