4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide

C16H21N5O — CID 133470476

IUPAC4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCCc1nccn1C1CCCN(c2ccncc2C(N)=O)C1
InChIInChI=1S/C16H21N5O/c1-2-15-19-7-9-21(15)12-4-3-8-20(11-12)14-5-6-18-10-13(14)16(17)22/h5-7,9-10,12H,2-4,8,11H2,1H3,(H2,17,22)
InChIKeyIEAISRIEPYGVSM-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.78
Rot. Bonds4

About 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide

4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133470476) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133470476
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCCc1nccn1C1CCCN(c2ccncc2C(N)=O)C1
InChIInChI=1S/C16H21N5O/c1-2-15-19-7-9-21(15)12-4-3-8-20(11-12)14-5-6-18-10-13(14)16(17)22/h5-7,9-10,12H,2-4,8,11H2,1H3,(H2,17,22)
InChIKeyIEAISRIEPYGVSM-UHFFFAOYSA-N
XLogP1.78
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 167865024
[4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]methanol
CID 136568930
4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470685
4-acetyl-3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]benzonitrile
CID 133457766
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133442574
4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133469712
4-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133469453
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 124883297

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide (CID 133470476) is 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide is CCc1nccn1C1CCCN(c2ccncc2C(N)=O)C1.
What is the InChIKey of 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is IEAISRIEPYGVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-15-19-7-9-21(15)12-4-3-8-20(11-12)14-5-6-18-10-13(14)16(17)22/h5-7,9-10,12H,2-4,8,11H2,1H3,(H2,17,22).
What are the key properties of 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133470476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).