methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate

C16H23N3O4 — CID 102350868

IUPACmethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate
SMILESCCN(C)C(=O)CN(C(=O)c1ncccc1C(=O)OC)C(C)C
InChIInChI=1S/C16H23N3O4/c1-6-18(4)13(20)10-19(11(2)3)15(21)14-12(16(22)23-5)8-7-9-17-14/h7-9,11H,6,10H2,1-5H3
InChIKeyJFUBZMBXSUZTSD-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.20
Rot. Bonds6

About methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate

methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate (PubChem CID 102350868) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate
PubChem CID102350868
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Namemethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate
SMILESCCN(C)C(=O)CN(C(=O)c1ncccc1C(=O)OC)C(C)C
InChIInChI=1S/C16H23N3O4/c1-6-18(4)13(20)10-19(11(2)3)15(21)14-12(16(22)23-5)8-7-9-17-14/h7-9,11H,6,10H2,1-5H3
InChIKeyJFUBZMBXSUZTSD-UHFFFAOYSA-N
XLogP1.20
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dipropyl isocinchomeronate
CID 8693
Dimethyl 2,5-pyridine dicarboxylate
CID 234911
2,3-Dimethyl 2,3-pyridinedicarboxylate
CID 69058
2-(((2-((2-(Dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid
CID 86346639
Kdm5-C70
CID 90094283
Diethyl 2,5-pyridinedicarboxylate
CID 254728
Ethyl 2-methylnicotinate
CID 74401
2-Methyl 2,3-pyridinedicarboxylate
CID 98626
Methyl 6-methylnicotinate
CID 231548
Methyl 6-formylpyridine-3-carboxylate
CID 586269
Dimethyl 3,4-pyridinedicarboxylate
CID 596231
2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester
CID 11745869

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate (CID 102350868) is methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate is CCN(C)C(=O)CN(C(=O)c1ncccc1C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate?
The InChIKey is JFUBZMBXSUZTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-6-18(4)13(20)10-19(11(2)3)15(21)14-12(16(22)23-5)8-7-9-17-14/h7-9,11H,6,10H2,1-5H3.
What are the key properties of methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate?
methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 102350868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).