methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate

C11H11N3O2 — CID 79107091

IUPACmethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Nn1cccc1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)9-5-4-6-12-10(9)13-14-7-2-3-8-14/h2-8H,1H3,(H,12,13)
InChIKeyTVMNPOGKRNMGIB-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.54
Rot. Bonds3

About methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate

methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate (PubChem CID 79107091) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
PubChem CID79107091
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Nn1cccc1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)9-5-4-6-12-10(9)13-14-7-2-3-8-14/h2-8H,1H3,(H,12,13)
InChIKeyTVMNPOGKRNMGIB-UHFFFAOYSA-N
XLogP1.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate
CID 115280212
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate (CID 79107091) is methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate is COC(=O)c1cccnc1Nn1cccc1.
What is the InChIKey of methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate?
The InChIKey is TVMNPOGKRNMGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-11(15)9-5-4-6-12-10(9)13-14-7-2-3-8-14/h2-8H,1H3,(H,12,13).
What are the key properties of methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate?
methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 79107091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).