4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide

C18H22FN3O — CID 109214110

IUPAC4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESCC(C)(C)Nc1ccnc(C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FN3O/c1-18(2,3)22-15-9-11-20-16(12-15)17(23)21-10-8-13-4-6-14(19)7-5-13/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNTKDRPZTDYRKIN-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.40
Rot. Bonds5

About 4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide

4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109214110) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID109214110
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESCC(C)(C)Nc1ccnc(C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FN3O/c1-18(2,3)22-15-9-11-20-16(12-15)17(23)21-10-8-13-4-6-14(19)7-5-13/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNTKDRPZTDYRKIN-UHFFFAOYSA-N
XLogP3.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-(4-ethylanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214135
N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206237
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
methyl 4-[[2-[2-(4-fluorophenyl)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109214162

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide (CID 109214110) is 4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide is CC(C)(C)Nc1ccnc(C(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of 4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is NTKDRPZTDYRKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-18(2,3)22-15-9-11-20-16(12-15)17(23)21-10-8-13-4-6-14(19)7-5-13/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109214110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).