N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide

C25H29N3O — CID 109234765

IUPACN-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H29N3O/c1-5-28(18-19-9-7-6-8-10-19)24(29)20-15-23(17-26-16-20)27-22-13-11-21(12-14-22)25(2,3)4/h6-17,27H,5,18H2,1-4H3
InChIKeyIUGVKAQGRHEKDN-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.78
Rot. Bonds6

About N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide

N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide (PubChem CID 109234765) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide
PubChem CID109234765
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H29N3O/c1-5-28(18-19-9-7-6-8-10-19)24(29)20-15-23(17-26-16-20)27-22-13-11-21(12-14-22)25(2,3)4/h6-17,27H,5,18H2,1-4H3
InChIKeyIUGVKAQGRHEKDN-UHFFFAOYSA-N
XLogP5.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109234812
N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide
CID 109238844
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109234803
5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238796
N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233085
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
N,N-diethyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109238757
5-N-benzyl-5-N-ethyl-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103413
5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105262
5-(tert-butylamino)-N,N-diethylpyridine-3-carboxamide
CID 109238760
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide (CID 109234765) is N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide?
The InChIKey is IUGVKAQGRHEKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-5-28(18-19-9-7-6-8-10-19)24(29)20-15-23(17-26-16-20)27-22-13-11-21(12-14-22)25(2,3)4/h6-17,27H,5,18H2,1-4H3.
What are the key properties of N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide?
N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 109234765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).