methyl 2-(cyclopropylamino)pyridine-3-carboxylate

C10H12N2O2 — CID 60722666

IUPACmethyl 2-(cyclopropylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1CC1
InChIInChI=1S/C10H12N2O2/c1-14-10(13)8-3-2-6-11-9(8)12-7-4-5-7/h2-3,6-7H,4-5H2,1H3,(H,11,12)
InChIKeyBNACOUZLQYIZEW-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.44
Rot. Bonds3

About methyl 2-(cyclopropylamino)pyridine-3-carboxylate

methyl 2-(cyclopropylamino)pyridine-3-carboxylate (PubChem CID 60722666) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)pyridine-3-carboxylate
PubChem CID60722666
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 2-(cyclopropylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1CC1
InChIInChI=1S/C10H12N2O2/c1-14-10(13)8-3-2-6-11-9(8)12-7-4-5-7/h2-3,6-7H,4-5H2,1H3,(H,11,12)
InChIKeyBNACOUZLQYIZEW-UHFFFAOYSA-N
XLogP1.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
methyl 2-[(1,1-dioxothian-4-yl)amino]pyridine-3-carboxylate
CID 62000677
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109
ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
CID 61044227
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate
CID 142730255
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(cyclopropylamino)pyridine-3-carboxylate (CID 60722666) is methyl 2-(cyclopropylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(cyclopropylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(cyclopropylamino)pyridine-3-carboxylate is COC(=O)c1cccnc1NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)pyridine-3-carboxylate?
The InChIKey is BNACOUZLQYIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-10(13)8-3-2-6-11-9(8)12-7-4-5-7/h2-3,6-7H,4-5H2,1H3,(H,11,12).
What are the key properties of methyl 2-(cyclopropylamino)pyridine-3-carboxylate?
methyl 2-(cyclopropylamino)pyridine-3-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)pyridine-3-carboxylate is sourced from PubChem (CID 60722666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).