1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide

C16H25N5O2 — CID 53499400

IUPAC1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)N2CCC(C(N)=O)CC2)cn1
InChIInChI=1S/C16H25N5O2/c1-3-20(4-2)14-6-5-13(11-18-14)19-16(23)21-9-7-12(8-10-21)15(17)22/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,17,22)(H,19,23)
InChIKeyBJBYFEONELOPGI-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.66
Rot. Bonds5

About 1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide

1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide (PubChem CID 53499400) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide
PubChem CID53499400
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)N2CCC(C(N)=O)CC2)cn1
InChIInChI=1S/C16H25N5O2/c1-3-20(4-2)14-6-5-13(11-18-14)19-16(23)21-9-7-12(8-10-21)15(17)22/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,17,22)(H,19,23)
InChIKeyBJBYFEONELOPGI-UHFFFAOYSA-N
XLogP1.66
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168440
N-[6-(diethylamino)-3-pyridinyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168439
N-[6-(diethylamino)-3-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 53498715
2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride
CID 119845923
N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55784405
1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
CID 51082122
4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide
CID 79211338
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 43705956
N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide
CID 47243914
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 115742442
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76887277

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide (CID 53499400) is 1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide is CCN(CC)c1ccc(NC(=O)N2CCC(C(N)=O)CC2)cn1.
What is the InChIKey of 1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide?
The InChIKey is BJBYFEONELOPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-20(4-2)14-6-5-13(11-18-14)19-16(23)21-9-7-12(8-10-21)15(17)22/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,17,22)(H,19,23).
What are the key properties of 1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide?
1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 53499400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).