N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide

C14H17N3O2 — CID 153398122

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C)cn2C)ccc1=O
InChIInChI=1S/C14H17N3O2/c1-4-17-9-11(5-6-13(17)18)15-14(19)12-7-10(2)8-16(12)3/h5-9H,4H2,1-3H3,(H,15,19)
InChIKeySYUBVFLQHJJHAX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.77
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide (PubChem CID 153398122) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide
PubChem CID153398122
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C)cn2C)ccc1=O
InChIInChI=1S/C14H17N3O2/c1-4-17-9-11(5-6-13(17)18)15-14(19)12-7-10(2)8-16(12)3/h5-9H,4H2,1-3H3,(H,15,19)
InChIKeySYUBVFLQHJJHAX-UHFFFAOYSA-N
XLogP1.77
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 54867134
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide
CID 146323461
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 146323320
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 146323464
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 47255035
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 167694658
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide
CID 61103547
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(methylamino)benzamide
CID 61378041
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzamide
CID 62677966

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide (CID 153398122) is N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide is CCn1cc(NC(=O)c2cc(C)cn2C)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide?
The InChIKey is SYUBVFLQHJJHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-17-9-11(5-6-13(17)18)15-14(19)12-7-10(2)8-16(12)3/h5-9H,4H2,1-3H3,(H,15,19).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 153398122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).