2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane

C22H30Cl2N6O5 — CID 159003981

IUPAC2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane
SMILESCCOC(OCC)OCC.Cc1cc(Cl)nc(N)c1C(N)=O.Cc1cc(Cl)nc2nc[nH]c(=O)c12
InChIInChI=1S/C8H6ClN3O.C7H8ClN3O.C7H16O3/c1-4-2-5(9)12-7-6(4)8(13)11-3-10-7;1-3-2-4(8)11-6(9)5(3)7(10)12;1-4-8-7(9-5-2)10-6-3/h2-3H,1H3,(H,10,11,12,13);2H,1H3,(H2,9,11)(H2,10,12);7H,4-6H2,1-3H3
InChIKeyJRRMEPRFDHBDFK-UHFFFAOYSA-N
MW529.43 g/mol
LogP3.38
Rot. Bonds7

About 2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane

2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane (PubChem CID 159003981) has the molecular formula C22H30Cl2N6O5 and a molecular weight of 529.43 g/mol. Its IUPAC name is 2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane.

Molecular Properties

Compound Name2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane
PubChem CID159003981
Molecular FormulaC22H30Cl2N6O5
Molecular Weight529.43 g/mol
Exact Mass528.17
IUPAC Name2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane
SMILESCCOC(OCC)OCC.Cc1cc(Cl)nc(N)c1C(N)=O.Cc1cc(Cl)nc2nc[nH]c(=O)c12
InChIInChI=1S/C8H6ClN3O.C7H8ClN3O.C7H16O3/c1-4-2-5(9)12-7-6(4)8(13)11-3-10-7;1-3-2-4(8)11-6(9)5(3)7(10)12;1-4-8-7(9-5-2)10-6-3/h2-3H,1H3,(H,10,11,12,13);2H,1H3,(H2,9,11)(H2,10,12);7H,4-6H2,1-3H3
InChIKeyJRRMEPRFDHBDFK-UHFFFAOYSA-N
XLogP3.38
TPSA168.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.43
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane?
The IUPAC name of 2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane (CID 159003981) is 2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane.
What is the SMILES notation for 2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane?
The canonical SMILES for 2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane is CCOC(OCC)OCC.Cc1cc(Cl)nc(N)c1C(N)=O.Cc1cc(Cl)nc2nc[nH]c(=O)c12.
What is the InChIKey of 2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane?
The InChIKey is JRRMEPRFDHBDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O.C7H8ClN3O.C7H16O3/c1-4-2-5(9)12-7-6(4)8(13)11-3-10-7;1-3-2-4(8)11-6(9)5(3)7(10)12;1-4-8-7(9-5-2)10-6-3/h2-3H,1H3,(H,10,11,12,13);2H,1H3,(H2,9,11)(H2,10,12);7H,4-6H2,1-3H3.
What are the key properties of 2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane?
2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane has a molecular weight of 529.43 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane is sourced from PubChem (CID 159003981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).