N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide

C31H38N6O4 — CID 142943464

IUPACN,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide
SMILESCCc1c[nH]c2cc(C(N)=O)ccc12.CN(C)C(=O)N1CCCCC1.NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C12H10N2O2.C11H12N2O.C8H16N2O/c13-12(16)9-4-6-10(7-5-9)14-8-2-1-3-11(14)15;1-2-7-6-13-10-5-8(11(12)14)3-4-9(7)10;1-9(2)8(11)10-6-4-3-5-7-10/h1-8H,(H2,13,16);3-6,13H,2H2,1H3,(H2,12,14);3-7H2,1-2H3
InChIKeyIUTGCACIUJZZPF-UHFFFAOYSA-N
MW558.68 g/mol
LogP3.92
Rot. Bonds4

About N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide

N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 142943464) has the molecular formula C31H38N6O4 and a molecular weight of 558.68 g/mol. Its IUPAC name is N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide
PubChem CID142943464
Molecular FormulaC31H38N6O4
Molecular Weight558.68 g/mol
Exact Mass558.30
IUPAC NameN,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide
SMILESCCc1c[nH]c2cc(C(N)=O)ccc12.CN(C)C(=O)N1CCCCC1.NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C12H10N2O2.C11H12N2O.C8H16N2O/c13-12(16)9-4-6-10(7-5-9)14-8-2-1-3-11(14)15;1-2-7-6-13-10-5-8(11(12)14)3-4-9(7)10;1-9(2)8(11)10-6-4-3-5-7-10/h1-8H,(H2,13,16);3-6,13H,2H2,1H3,(H2,12,14);3-7H2,1-2H3
InChIKeyIUTGCACIUJZZPF-UHFFFAOYSA-N
XLogP3.92
TPSA147.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.68
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

cyclopentane;3,4-dimethylbenzamide;4-(2-oxo-1-pyridinyl)benzamide
CID 142943441
molecular hydrogen;4-(2-oxo-1-pyridinyl)benzamide
CID 143214195
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide
CID 69439470
[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone
CID 25062468
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
4-(azepane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 22001051
2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 86934178
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
3-[(propan-2-ylamino)methyl]-1H-indole-6-carboxylic acid
CID 117178714

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide (CID 142943464) is N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide is CCc1c[nH]c2cc(C(N)=O)ccc12.CN(C)C(=O)N1CCCCC1.NC(=O)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is IUTGCACIUJZZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2.C11H12N2O.C8H16N2O/c13-12(16)9-4-6-10(7-5-9)14-8-2-1-3-11(14)15;1-2-7-6-13-10-5-8(11(12)14)3-4-9(7)10;1-9(2)8(11)10-6-4-3-5-7-10/h1-8H,(H2,13,16);3-6,13H,2H2,1H3,(H2,12,14);3-7H2,1-2H3.
What are the key properties of N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide?
N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 558.68 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpiperidine-1-carboxamide;3-ethyl-1H-indole-6-carboxamide;4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 142943464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).