4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide

C12H19N5O — CID 43384277

IUPAC4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C12H19N5O/c1-2-14-12(18)17-8-6-16(7-9-17)11-10(13)4-3-5-15-11/h3-5H,2,6-9,13H2,1H3,(H,14,18)
InChIKeyBQLQGGXOZDKZAY-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.52
Rot. Bonds2

About 4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide

4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 43384277) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
PubChem CID43384277
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C12H19N5O/c1-2-14-12(18)17-8-6-16(7-9-17)11-10(13)4-3-5-15-11/h3-5H,2,6-9,13H2,1H3,(H,14,18)
InChIKeyBQLQGGXOZDKZAY-UHFFFAOYSA-N
XLogP0.52
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43462094
[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000236
N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide
CID 133387176
ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
CID 64662976
methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
CID 43462177
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763
2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 43462186
4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 120608383
2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397212
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
CID 47252261
methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate
CID 114461595

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide (CID 43384277) is 4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(c2ncccc2N)CC1.
What is the InChIKey of 4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is BQLQGGXOZDKZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-14-12(18)17-8-6-16(7-9-17)11-10(13)4-3-5-15-11/h3-5H,2,6-9,13H2,1H3,(H,14,18).
What are the key properties of 4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide?
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 43384277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).