methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate

C21H22N4O6 — CID 167978165

IUPACmethyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate
SMILESCCN(C(=O)c1ccc(C(=O)OC)nc1)C1CN(C(=O)c2ccc(C(=O)OC)nc2)C1
InChIInChI=1S/C21H22N4O6/c1-4-25(19(27)14-6-8-17(23-10-14)21(29)31-3)15-11-24(12-15)18(26)13-5-7-16(22-9-13)20(28)30-2/h5-10,15H,4,11-12H2,1-3H3
InChIKeySDYRBRKMTCSTFC-UHFFFAOYSA-N
MW426.43 g/mol
LogP1.04
Rot. Bonds6

About methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate

methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate (PubChem CID 167978165) has the molecular formula C21H22N4O6 and a molecular weight of 426.43 g/mol. Its IUPAC name is methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate
PubChem CID167978165
Molecular FormulaC21H22N4O6
Molecular Weight426.43 g/mol
Exact Mass426.15
IUPAC Namemethyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate
SMILESCCN(C(=O)c1ccc(C(=O)OC)nc1)C1CN(C(=O)c2ccc(C(=O)OC)nc2)C1
InChIInChI=1S/C21H22N4O6/c1-4-25(19(27)14-6-8-17(23-10-14)21(29)31-3)15-11-24(12-15)18(26)13-5-7-16(22-9-13)20(28)30-2/h5-10,15H,4,11-12H2,1-3H3
InChIKeySDYRBRKMTCSTFC-UHFFFAOYSA-N
XLogP1.04
TPSA119.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 42945586
methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
N-cyclopropyl-N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 62241905
N-cyclopentyl-N-ethyl-6-(methylamino)pyridine-3-carboxamide
CID 62168691
methyl 5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]pyridine-2-carboxylate
CID 166021842
N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate
CID 162045495
methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate
CID 177042378
N-cyclohexyl-N-ethyl-6-(imidazo[1,2-a]pyridine-3-carbonyl)pyridine-3-carboxamide
CID 46846869
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate
CID 163307577
[3-(diethylamino)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 63175158

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate (CID 167978165) is methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate is CCN(C(=O)c1ccc(C(=O)OC)nc1)C1CN(C(=O)c2ccc(C(=O)OC)nc2)C1.
What is the InChIKey of methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate?
The InChIKey is SDYRBRKMTCSTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6/c1-4-25(19(27)14-6-8-17(23-10-14)21(29)31-3)15-11-24(12-15)18(26)13-5-7-16(22-9-13)20(28)30-2/h5-10,15H,4,11-12H2,1-3H3.
What are the key properties of methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate?
methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate has a molecular weight of 426.43 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 167978165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).