methyl 6-(cyclopentylamino)pyridine-3-carboxylate

C12H16N2O2 — CID 154654018

IUPACmethyl 6-(cyclopentylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCC2)nc1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)9-6-7-11(13-8-9)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,13,14)
InChIKeyIOJSACDPGKENKE-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.22
Rot. Bonds3

About methyl 6-(cyclopentylamino)pyridine-3-carboxylate

methyl 6-(cyclopentylamino)pyridine-3-carboxylate (PubChem CID 154654018) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 6-(cyclopentylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclopentylamino)pyridine-3-carboxylate
PubChem CID154654018
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 6-(cyclopentylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCC2)nc1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)9-6-7-11(13-8-9)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,13,14)
InChIKeyIOJSACDPGKENKE-UHFFFAOYSA-N
XLogP2.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[6-(cycloheptylamino)pyridine-3-carbonyl]amino]benzoate
CID 109161045
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
6-(cyclohexylamino)pyridine-3-carboxamide;hydrochloride
CID 3031414
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109152217
methyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]benzoate
CID 112856307
methyl 4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112876057
6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109161046

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclopentylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(cyclopentylamino)pyridine-3-carboxylate (CID 154654018) is methyl 6-(cyclopentylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(cyclopentylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(cyclopentylamino)pyridine-3-carboxylate is COC(=O)c1ccc(NC2CCCC2)nc1.
What is the InChIKey of methyl 6-(cyclopentylamino)pyridine-3-carboxylate?
The InChIKey is IOJSACDPGKENKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(15)9-6-7-11(13-8-9)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,13,14).
What are the key properties of methyl 6-(cyclopentylamino)pyridine-3-carboxylate?
methyl 6-(cyclopentylamino)pyridine-3-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopentylamino)pyridine-3-carboxylate is sourced from PubChem (CID 154654018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).