2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate

C16H25N3O2 — CID 115498736

IUPAC2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)OCCN2CCCCC2)n1
InChIInChI=1S/C16H25N3O2/c1-13(2)17-15-8-6-7-14(18-15)16(20)21-12-11-19-9-4-3-5-10-19/h6-8,13H,3-5,9-12H2,1-2H3,(H,17,18)
InChIKeyNFCGPHCRWIMBNO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.54
Rot. Bonds6

About 2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate

2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate (PubChem CID 115498736) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
PubChem CID115498736
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)OCCN2CCCCC2)n1
InChIInChI=1S/C16H25N3O2/c1-13(2)17-15-8-6-7-14(18-15)16(20)21-12-11-19-9-4-3-5-10-19/h6-8,13H,3-5,9-12H2,1-2H3,(H,17,18)
InChIKeyNFCGPHCRWIMBNO-UHFFFAOYSA-N
XLogP2.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498670
2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 106205643
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
2,2,2-trifluoroethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 113323737
oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498619
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057810
N-ethyl-N-(1-methoxypropan-2-yl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498270
(2-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498775
(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498727
(3,5-dimethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498721
(3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498680

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate (CID 115498736) is 2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate is CC(C)Nc1cccc(C(=O)OCCN2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is NFCGPHCRWIMBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(2)17-15-8-6-7-14(18-15)16(20)21-12-11-19-9-4-3-5-10-19/h6-8,13H,3-5,9-12H2,1-2H3,(H,17,18).
What are the key properties of 2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 115498736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).