4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide

C13H21N5O — CID 79159197

IUPAC4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide
SMILESCCN(C)C(=O)N1CCN(c2ccc(N)cn2)CC1
InChIInChI=1S/C13H21N5O/c1-3-16(2)13(19)18-8-6-17(7-9-18)12-5-4-11(14)10-15-12/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyVPPXAAIXWRMTSK-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.86
Rot. Bonds2

About 4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide

4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide (PubChem CID 79159197) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide
PubChem CID79159197
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide
SMILESCCN(C)C(=O)N1CCN(c2ccc(N)cn2)CC1
InChIInChI=1S/C13H21N5O/c1-3-16(2)13(19)18-8-6-17(7-9-18)12-5-4-11(14)10-15-12/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyVPPXAAIXWRMTSK-UHFFFAOYSA-N
XLogP0.86
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
CID 43461986
1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 43462000
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 64662975
ethyl 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]acetate
CID 43462036
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43461990
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 43462002
5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053119
4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120621767
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine
CID 82840203

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide (CID 79159197) is 4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide is CCN(C)C(=O)N1CCN(c2ccc(N)cn2)CC1.
What is the InChIKey of 4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide?
The InChIKey is VPPXAAIXWRMTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-16(2)13(19)18-8-6-17(7-9-18)12-5-4-11(14)10-15-12/h4-5,10H,3,6-9,14H2,1-2H3.
What are the key properties of 4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide?
4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 79159197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).