2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide

C18H17N3O3 — CID 168942125

IUPAC2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide
SMILESCc1ccccc1-c1cc(=O)oc2nc(N(C)CC(N)=O)ccc12
InChIInChI=1S/C18H17N3O3/c1-11-5-3-4-6-12(11)14-9-17(23)24-18-13(14)7-8-16(20-18)21(2)10-15(19)22/h3-9H,10H2,1-2H3,(H2,19,22)
InChIKeyBCHIBXNVMGAKLV-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.08
Rot. Bonds4

About 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide

2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide (PubChem CID 168942125) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide
PubChem CID168942125
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide
SMILESCc1ccccc1-c1cc(=O)oc2nc(N(C)CC(N)=O)ccc12
InChIInChI=1S/C18H17N3O3/c1-11-5-3-4-6-12(11)14-9-17(23)24-18-13(14)7-8-16(20-18)21(2)10-15(19)22/h3-9H,10H2,1-2H3,(H2,19,22)
InChIKeyBCHIBXNVMGAKLV-UHFFFAOYSA-N
XLogP2.08
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[ethyl(methyl)amino]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
CID 168942238
7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
CID 168942137
3-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]propanamide
CID 167499125
1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide
CID 168942286
3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid
CID 170188617
tert-butyl 2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetate
CID 167498931
CID 167498968
CID 167498968
ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate
CID 168942176
(2R)-3-hydroxy-N,N-dimethyl-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]propanamide
CID 155099166
2-methyl-2-[[2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetyl]amino]propanoic acid
CID 167498923
N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide
CID 167498925
2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 167499128

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide (CID 168942125) is 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide?
The canonical SMILES for 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide is Cc1ccccc1-c1cc(=O)oc2nc(N(C)CC(N)=O)ccc12.
What is the InChIKey of 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide?
The InChIKey is BCHIBXNVMGAKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-5-3-4-6-12(11)14-9-17(23)24-18-13(14)7-8-16(20-18)21(2)10-15(19)22/h3-9H,10H2,1-2H3,(H2,19,22).
What are the key properties of 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide?
2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide is sourced from PubChem (CID 168942125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).