methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate

C18H26N4O5 — CID 175071093

IUPACmethyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N(C(N)=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H26N4O5/c1-18(2,3)27-17(25)21-10-6-7-12(11-21)22(16(19)24)13-8-5-9-20-14(13)15(23)26-4/h5,8-9,12H,6-7,10-11H2,1-4H3,(H2,19,24)
InChIKeySBTSYCIQPYHZOS-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.15
Rot. Bonds3

About methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate

methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate (PubChem CID 175071093) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate
PubChem CID175071093
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Namemethyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N(C(N)=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H26N4O5/c1-18(2,3)27-17(25)21-10-6-7-12(11-21)22(16(19)24)13-8-5-9-20-14(13)15(23)26-4/h5,8-9,12H,6-7,10-11H2,1-4H3,(H2,19,24)
InChIKeySBTSYCIQPYHZOS-UHFFFAOYSA-N
XLogP2.15
TPSA115.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamoylamino]pyridine-2-carboxylate
CID 139533668
tert-butyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]piperidine-1-carboxylate
CID 66570109
tert-butyl (3S)-3-[carbamoyl-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 150361951
tert-butyl 3-[methyl(quinolin-5-yl)amino]pyrrolidine-1-carboxylate
CID 175301049
tert-butyl (3S)-3-pyridin-2-ylsulfanylpiperidine-1-carboxylate
CID 95387140
tert-butyl 5-(2-methoxycarbonyl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 170904014
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl 3-[[(3-hydroxy-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 71631128
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-pyrimidin-2-ylsulfanylpiperidine-1-carboxylate
CID 71302839
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl (3S)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
CID 124566469

Frequently Asked Questions

What is the IUPAC name of methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate (CID 175071093) is methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate is COC(=O)c1ncccc1N(C(N)=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate?
The InChIKey is SBTSYCIQPYHZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-18(2,3)27-17(25)21-10-6-7-12(11-21)22(16(19)24)13-8-5-9-20-14(13)15(23)26-4/h5,8-9,12H,6-7,10-11H2,1-4H3,(H2,19,24).
What are the key properties of methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate?
methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 175071093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).