6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide

C22H21ClN4O2 — CID 53234105

IUPAC6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCc1cncc(NC(=O)N2CC(C)(C)Oc3ccc(-c4cccc(Cl)c4)nc32)c1
InChIInChI=1S/C22H21ClN4O2/c1-14-9-17(12-24-11-14)25-21(28)27-13-22(2,3)29-19-8-7-18(26-20(19)27)15-5-4-6-16(23)10-15/h4-12H,13H2,1-3H3,(H,25,28)
InChIKeyAWCATHHIJUGMTK-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.31
Rot. Bonds2

About 6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide

6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 53234105) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID53234105
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCc1cncc(NC(=O)N2CC(C)(C)Oc3ccc(-c4cccc(Cl)c4)nc32)c1
InChIInChI=1S/C22H21ClN4O2/c1-14-9-17(12-24-11-14)25-21(28)27-13-22(2,3)29-19-8-7-18(26-20(19)27)15-5-4-6-16(23)10-15/h4-12H,13H2,1-3H3,(H,25,28)
InChIKeyAWCATHHIJUGMTK-UHFFFAOYSA-N
XLogP5.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide with MolForge

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Related Compounds

7-(3-chlorophenyl)-N-(2-methyl-1H-pyrazol-2-ium-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
CID 163463931
(9R,10R)-5-(3-chlorophenyl)-N-(5-fluoro-3-pyridinyl)-10-hydroxy-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118969440
N-(5-fluoro-3-pyridinyl)-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124828
N-(5-chloro-3-pyridinyl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166383947
(9S)-5-(3-chlorophenyl)-N-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118969048
methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58346088
7-(3-chlorophenyl)-1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 88943318
N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
CID 67170840
6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346084
2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid
CID 58346077
methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58345991
1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea
CID 130437400

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 53234105) is 6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide is Cc1cncc(NC(=O)N2CC(C)(C)Oc3ccc(-c4cccc(Cl)c4)nc32)c1.
What is the InChIKey of 6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is AWCATHHIJUGMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-14-9-17(12-24-11-14)25-21(28)27-13-22(2,3)29-19-8-7-18(26-20(19)27)15-5-4-6-16(23)10-15/h4-12H,13H2,1-3H3,(H,25,28).
What are the key properties of 6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide?
6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2,2-dimethyl-N-(5-methyl-3-pyridinyl)-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 53234105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).