N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide

C23H26N4O — CID 109212563

IUPACN-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ccn1
InChIInChI=1S/C23H26N4O/c1-4-27(17-18-8-6-5-7-9-18)23(28)22-16-20(14-15-24-22)25-19-10-12-21(13-11-19)26(2)3/h5-16H,4,17H2,1-3H3,(H,24,25)
InChIKeySRVNFWBKHGTPFK-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.55
Rot. Bonds7

About N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide

N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide (PubChem CID 109212563) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
PubChem CID109212563
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ccn1
InChIInChI=1S/C23H26N4O/c1-4-27(17-18-8-6-5-7-9-18)23(28)22-16-20(14-15-24-22)25-19-10-12-21(13-11-19)26(2)3/h5-16H,4,17H2,1-3H3,(H,24,25)
InChIKeySRVNFWBKHGTPFK-UHFFFAOYSA-N
XLogP4.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109212562
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362
N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109212519
4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213610
N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109212553
N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109212489
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212771
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
N-ethyl-4-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62247237
N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
CID 109194672

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide (CID 109212563) is N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ccn1.
What is the InChIKey of N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide?
The InChIKey is SRVNFWBKHGTPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-27(17-18-8-6-5-7-9-18)23(28)22-16-20(14-15-24-22)25-19-10-12-21(13-11-19)26(2)3/h5-16H,4,17H2,1-3H3,(H,24,25).
What are the key properties of N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide?
N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 109212563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).