2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide

C19H23N3O2 — CID 109080221

IUPAC2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)N(CC)c2ccccc2)ccn1
InChIInChI=1S/C19H23N3O2/c1-4-14(3)21-18(23)17-13-15(11-12-20-17)19(24)22(5-2)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,21,23)
InChIKeyPEGLIDWUZALXOL-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.28
Rot. Bonds6

About 2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide

2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109080221) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109080221
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)N(CC)c2ccccc2)ccn1
InChIInChI=1S/C19H23N3O2/c1-4-14(3)21-18(23)17-13-15(11-12-20-17)19(24)22(5-2)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,21,23)
InChIKeyPEGLIDWUZALXOL-UHFFFAOYSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
2-N-tert-butyl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109089266
2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109080088
2-N-(2-ethoxyphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092343
4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088003
2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092335
2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080207
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109080007
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109083472
N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084799
N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109297362

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide (CID 109080221) is 2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1cc(C(=O)N(CC)c2ccccc2)ccn1.
What is the InChIKey of 2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is PEGLIDWUZALXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-14(3)21-18(23)17-13-15(11-12-20-17)19(24)22(5-2)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide?
2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).