N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide

C16H17N3O3 — CID 661349

IUPACN-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide
SMILESCC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccncc2)c1C
InChIInChI=1S/C16H17N3O3/c1-9-14(11(3)20)15(12(4)21)10(2)19(9)18-16(22)13-5-7-17-8-6-13/h5-8H,1-4H3,(H,18,22)
InChIKeyZZRVRSFOYHNJEI-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.29
Rot. Bonds4

About N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide

N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide (PubChem CID 661349) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide
PubChem CID661349
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide
SMILESCC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccncc2)c1C
InChIInChI=1S/C16H17N3O3/c1-9-14(11(3)20)15(12(4)21)10(2)19(9)18-16(22)13-5-7-17-8-6-13/h5-8H,1-4H3,(H,18,22)
InChIKeyZZRVRSFOYHNJEI-UHFFFAOYSA-N
XLogP2.29
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 69045386
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CID 163197723
molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide
CID 161308535
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CID 174655632
N-[3-[(4-benzylpiperazin-1-yl)methyl]-2-methyl-5-phenylpyrrol-1-yl]pyridine-4-carboxamide
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N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide (CID 661349) is N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide is CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccncc2)c1C.
What is the InChIKey of N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide?
The InChIKey is ZZRVRSFOYHNJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9-14(11(3)20)15(12(4)21)10(2)19(9)18-16(22)13-5-7-17-8-6-13/h5-8H,1-4H3,(H,18,22).
What are the key properties of N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide?
N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 661349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).