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

methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate
CID 11152005
2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 54893003
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
methyl 2-(2-bromoacetyl)pyridine-3-carboxylate;hydrobromide
CID 173079683
2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154768
3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 60923482
methyl 2-(3-oxopropanoyl)pyridine-3-carboxylate
CID 57318623
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615578
3-bromo-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 107517877
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide
CID 10314425
methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate
CID 114198493

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).