N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C14H23N5O — CID 14763491

IUPACN-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H23N5O/c1-17(2)8-7-16-14(20)19-11-9-18(10-12-19)13-5-3-4-6-15-13/h3-6H,7-12H2,1-2H3,(H,16,20)
InChIKeySJOKUCORCCUPAY-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.47
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 14763491) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID14763491
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H23N5O/c1-17(2)8-7-16-14(20)19-11-9-18(10-12-19)13-5-3-4-6-15-13/h3-6H,7-12H2,1-2H3,(H,16,20)
InChIKeySJOKUCORCCUPAY-UHFFFAOYSA-N
XLogP0.47
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Jnj-17203212
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1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
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Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 14763491) is N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is CN(C)CCNC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is SJOKUCORCCUPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-17(2)8-7-16-14(20)19-11-9-18(10-12-19)13-5-3-4-6-15-13/h3-6H,7-12H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 14763491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).