4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide

C15H23N5O — CID 66201616

IUPAC4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCN(C3CNC3)CC2)ccn1
InChIInChI=1S/C15H23N5O/c1-2-17-15(21)14-9-12(3-4-18-14)19-5-7-20(8-6-19)13-10-16-11-13/h3-4,9,13,16H,2,5-8,10-11H2,1H3,(H,17,21)
InChIKeyVOEIAYBLOHUODW-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.07
Rot. Bonds4

About 4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide

4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide (PubChem CID 66201616) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
PubChem CID66201616
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCN(C3CNC3)CC2)ccn1
InChIInChI=1S/C15H23N5O/c1-2-17-15(21)14-9-12(3-4-18-14)19-5-7-20(8-6-19)13-10-16-11-13/h3-4,9,13,16H,2,5-8,10-11H2,1H3,(H,17,21)
InChIKeyVOEIAYBLOHUODW-UHFFFAOYSA-N
XLogP-0.07
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
1-[2-(ethylcarbamoyl)-4-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 63124697
4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63343922
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 84583882
4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide
CID 102683782
1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146961
4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 97028948
4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide
CID 61234100
1-[2-(ethylcarbamoyl)-4-pyridinyl]-2-methylpiperidine-4-carboxylic acid
CID 106742554

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide (CID 66201616) is 4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(N2CCN(C3CNC3)CC2)ccn1.
What is the InChIKey of 4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
The InChIKey is VOEIAYBLOHUODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-17-15(21)14-9-12(3-4-18-14)19-5-7-20(8-6-19)13-10-16-11-13/h3-4,9,13,16H,2,5-8,10-11H2,1H3,(H,17,21).
What are the key properties of 4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 66201616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).