2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide

C14H23N5O2 — CID 47041050

IUPAC2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide
SMILESCCN(CC)c1ccc(NC(=O)NCC(=O)N(C)C)cn1
InChIInChI=1S/C14H23N5O2/c1-5-19(6-2)12-8-7-11(9-15-12)17-14(21)16-10-13(20)18(3)4/h7-9H,5-6,10H2,1-4H3,(H2,16,17,21)
InChIKeyLXZTXRRMPXWZFJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.14
Rot. Bonds6

About 2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide

2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide (PubChem CID 47041050) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide
PubChem CID47041050
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide
SMILESCCN(CC)c1ccc(NC(=O)NCC(=O)N(C)C)cn1
InChIInChI=1S/C14H23N5O2/c1-5-19(6-2)12-8-7-11(9-15-12)17-14(21)16-10-13(20)18(3)4/h7-9H,5-6,10H2,1-4H3,(H2,16,17,21)
InChIKeyLXZTXRRMPXWZFJ-UHFFFAOYSA-N
XLogP1.14
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide
CID 27868583
N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide
CID 47243914
1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
CID 51082122
N-[6-(diethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113014581
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 43705956
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
(2R)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928749
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76887277
2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride
CID 119845923
3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 47041053
4-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 81076308

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide (CID 47041050) is 2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide is CCN(CC)c1ccc(NC(=O)NCC(=O)N(C)C)cn1.
What is the InChIKey of 2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide?
The InChIKey is LXZTXRRMPXWZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-5-19(6-2)12-8-7-11(9-15-12)17-14(21)16-10-13(20)18(3)4/h7-9H,5-6,10H2,1-4H3,(H2,16,17,21).
What are the key properties of 2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide?
2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide has a molecular weight of 293.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 47041050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).