N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide

C19H19N3O2 — CID 166207114

IUPACN-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide
SMILESCCOc1ccc(N(C)C(=O)c2cc(-n3cccc3)ccn2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-24-17-8-6-15(7-9-17)21(2)19(23)18-14-16(10-11-20-18)22-12-4-5-13-22/h4-14H,3H2,1-2H3
InChIKeyDPHITERUEUFQSN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.55
Rot. Bonds5

About N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide

N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide (PubChem CID 166207114) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide
PubChem CID166207114
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide
SMILESCCOc1ccc(N(C)C(=O)c2cc(-n3cccc3)ccn2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-24-17-8-6-15(7-9-17)21(2)19(23)18-14-16(10-11-20-18)22-12-4-5-13-22/h4-14H,3H2,1-2H3
InChIKeyDPHITERUEUFQSN-UHFFFAOYSA-N
XLogP3.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-prop-2-ynoxyphenyl)-3-pyrrol-1-ylbenzamide
CID 86900039
N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide
CID 71930249
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
N-(4-ethoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96672511
(3-methoxycyclobutyl)methyl 4-pyrrol-1-ylpyridine-2-carboxylate
CID 138037515
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 115116983
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671
2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 11460343
(E)-4-(4-ethoxy-N-methylanilino)-4-oxobut-2-enoic acid
CID 115177127
2-N-methyl-2-N-phenyl-4-N-propylpyridine-2,4-dicarboxamide
CID 109077708
2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide
CID 14665

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide (CID 166207114) is N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide is CCOc1ccc(N(C)C(=O)c2cc(-n3cccc3)ccn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide?
The InChIKey is DPHITERUEUFQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-24-17-8-6-15(7-9-17)21(2)19(23)18-14-16(10-11-20-18)22-12-4-5-13-22/h4-14H,3H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide?
N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 166207114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).