N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide

C23H25N3O2 — CID 109190758

IUPACN-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)N(CC)Cc3ccccc3)nc2)cc1
InChIInChI=1S/C23H25N3O2/c1-3-26(17-18-8-6-5-7-9-18)23(27)22-15-12-20(16-24-22)25-19-10-13-21(14-11-19)28-4-2/h5-16,25H,3-4,17H2,1-2H3
InChIKeyMPRUZOIVIKEBNB-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.89
Rot. Bonds8

About N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide

N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide (PubChem CID 109190758) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
PubChem CID109190758
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)N(CC)Cc3ccccc3)nc2)cc1
InChIInChI=1S/C23H25N3O2/c1-3-26(17-18-8-6-5-7-9-18)23(27)22-15-12-20(16-24-22)25-19-10-13-21(14-11-19)28-4-2/h5-16,25H,3-4,17H2,1-2H3
InChIKeyMPRUZOIVIKEBNB-UHFFFAOYSA-N
XLogP4.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
CID 109190719
N-benzyl-N-ethyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109190788
N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282799
N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109190700
N-benzyl-N-ethyl-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109190707
N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide
CID 109190728
5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
CID 109194672
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109189878
N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109329593
methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109212562
N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide
CID 109190727

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide (CID 109190758) is N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide is CCOc1ccc(Nc2ccc(C(=O)N(CC)Cc3ccccc3)nc2)cc1.
What is the InChIKey of N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide?
The InChIKey is MPRUZOIVIKEBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-26(17-18-8-6-5-7-9-18)23(27)22-15-12-20(16-24-22)25-19-10-13-21(14-11-19)28-4-2/h5-16,25H,3-4,17H2,1-2H3.
What are the key properties of N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide?
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 109190758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).