methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate

C12H16N4O3 — CID 114082431

IUPACmethyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1N1CCC(C(N)=O)C1
InChIInChI=1S/C12H16N4O3/c1-19-12(18)9-4-8(13)5-15-11(9)16-3-2-7(6-16)10(14)17/h4-5,7H,2-3,6,13H2,1H3,(H2,14,17)
InChIKeyZKZRUMFFCMOMFC-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.24
Rot. Bonds3

About methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate

methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate (PubChem CID 114082431) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate
PubChem CID114082431
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1N1CCC(C(N)=O)C1
InChIInChI=1S/C12H16N4O3/c1-19-12(18)9-4-8(13)5-15-11(9)16-3-2-7(6-16)10(14)17/h4-5,7H,2-3,6,13H2,1H3,(H2,14,17)
InChIKeyZKZRUMFFCMOMFC-UHFFFAOYSA-N
XLogP-0.24
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate
CID 114047167
1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
CID 154763502
1-(3,5-diamino-2-pyridinyl)piperidine-4-carboxamide
CID 21082843
methyl 1-(4-carbamoylpiperidin-1-yl)isoquinoline-4-carboxylate
CID 22330783
methyl 2-[4-amino-3-(hydroxymethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate
CID 129253288
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53213920
1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 55215791
5-amino-2-(4-ethoxypiperidin-1-yl)pyridine-3-carboxamide
CID 61360162
5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide
CID 63622974
5-amino-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 106835267

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate (CID 114082431) is methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate is COC(=O)c1cc(N)cnc1N1CCC(C(N)=O)C1.
What is the InChIKey of methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate?
The InChIKey is ZKZRUMFFCMOMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-19-12(18)9-4-8(13)5-15-11(9)16-3-2-7(6-16)10(14)17/h4-5,7H,2-3,6,13H2,1H3,(H2,14,17).
What are the key properties of methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate?
methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate has a molecular weight of 264.28 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 114082431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).