2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

C16H23N3O5 — CID 167764039

IUPAC2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESCC(=O)N(C)CCOC(=O)c1cc(NC(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C16H23N3O5/c1-11(20)19(5)8-9-23-14(21)13-10-12(6-7-17-13)18-15(22)24-16(2,3)4/h6-7,10H,8-9H2,1-5H3,(H,17,18,22)
InChIKeyYLEGJOZMRDDFSK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.06
Rot. Bonds5

About 2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (PubChem CID 167764039) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
PubChem CID167764039
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESCC(=O)N(C)CCOC(=O)c1cc(NC(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C16H23N3O5/c1-11(20)19(5)8-9-23-14(21)13-10-12(6-7-17-13)18-15(22)24-16(2,3)4/h6-7,10H,8-9H2,1-5H3,(H,17,18,22)
InChIKeyYLEGJOZMRDDFSK-UHFFFAOYSA-N
XLogP2.06
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642
tert-butyl N-(2-ethynyl-4-pyridinyl)carbamate
CID 121231998
methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate
CID 110459527
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
CID 175169131
benzyl N-[3-methyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carbonyl]azetidin-3-yl]carbamate
CID 176914553
tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate
CID 129192615
tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate
CID 11075458
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pent-2-enoic acid
CID 175357023
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]pyridine-2-carboxylate
CID 170490901
tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate
CID 169053084
tert-butyl 4-[(1-tert-butyl-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylate
CID 126834973

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The IUPAC name of 2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (CID 167764039) is 2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.
What is the SMILES notation for 2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The canonical SMILES for 2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is CC(=O)N(C)CCOC(=O)c1cc(NC(=O)OC(C)(C)C)ccn1.
What is the InChIKey of 2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The InChIKey is YLEGJOZMRDDFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-11(20)19(5)8-9-23-14(21)13-10-12(6-7-17-13)18-15(22)24-16(2,3)4/h6-7,10H,8-9H2,1-5H3,(H,17,18,22).
What are the key properties of 2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is sourced from PubChem (CID 167764039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).