methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate

C12H17N3O2 — CID 83841971

IUPACmethyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC2CCCNC2)c1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)9-4-6-14-11(7-9)15-10-3-2-5-13-8-10/h4,6-7,10,13H,2-3,5,8H2,1H3,(H,14,15)
InChIKeyRSIJIKITJRNVEJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.03
Rot. Bonds3

About methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate

methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate (PubChem CID 83841971) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
PubChem CID83841971
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC2CCCNC2)c1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)9-4-6-14-11(7-9)15-10-3-2-5-13-8-10/h4,6-7,10,13H,2-3,5,8H2,1H3,(H,14,15)
InChIKeyRSIJIKITJRNVEJ-UHFFFAOYSA-N
XLogP1.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(thian-3-ylamino)pyridine-4-carboxylate
CID 114075092
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate
CID 114075047
methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate
CID 114075042
methyl 6-(piperidin-3-ylamino)pyridine-2-carboxylate
CID 83841956
N-piperidin-3-ylpyridin-2-amine
CID 63321128
4-piperidin-1-yl-N-piperidin-3-ylpyridin-2-amine
CID 176995897
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
methyl 2-[2-(hexan-3-ylamino)-4-pyridinyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-4-carboxylate
CID 143907895
methyl 4-chloro-3-[[(3S)-piperidin-3-yl]sulfamoyl]benzoate
CID 104982557
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 3-iodo-4-piperidin-3-ylbenzoate
CID 44828968

Frequently Asked Questions

What is the IUPAC name of methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate (CID 83841971) is methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate is COC(=O)c1ccnc(NC2CCCNC2)c1.
What is the InChIKey of methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate?
The InChIKey is RSIJIKITJRNVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12(16)9-4-6-14-11(7-9)15-10-3-2-5-13-8-10/h4,6-7,10,13H,2-3,5,8H2,1H3,(H,14,15).
What are the key properties of methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate?
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate is sourced from PubChem (CID 83841971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).