5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide

C20H27N3O — CID 109238796

IUPAC5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H27N3O/c1-6-23(7-2)19(24)15-12-16(14-21-13-15)22-18-11-9-8-10-17(18)20(3,4)5/h8-14,22H,6-7H2,1-5H3
InChIKeyLTEVKYVLPCBGAX-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.60
Rot. Bonds5

About 5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide

5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide (PubChem CID 109238796) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide
PubChem CID109238796
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H27N3O/c1-6-23(7-2)19(24)15-12-16(14-21-13-15)22-18-11-9-8-10-17(18)20(3,4)5/h8-14,22H,6-7H2,1-5H3
InChIKeyLTEVKYVLPCBGAX-UHFFFAOYSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109238813
5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238786
N,N-diethyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109238819
5-(tert-butylamino)-N,N-diethylpyridine-3-carboxamide
CID 109238760
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109244010
5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104534804
N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide
CID 109234765
5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109239410
N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide
CID 109238844
N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109240301
5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228826
N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109234803

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide (CID 109238796) is 5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1cncc(Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of 5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide?
The InChIKey is LTEVKYVLPCBGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-6-23(7-2)19(24)15-12-16(14-21-13-15)22-18-11-9-8-10-17(18)20(3,4)5/h8-14,22H,6-7H2,1-5H3.
What are the key properties of 5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide?
5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 109238796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).