5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide

C18H22FN3O — CID 109181620

IUPAC5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NCCc2ccccc2F)nc1
InChIInChI=1S/C18H22FN3O/c1-3-13(2)22-15-8-9-17(21-12-15)18(23)20-11-10-14-6-4-5-7-16(14)19/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyBENWHJDVQOLHDH-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.40
Rot. Bonds7

About 5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide

5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109181620) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID109181620
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NCCc2ccccc2F)nc1
InChIInChI=1S/C18H22FN3O/c1-3-13(2)22-15-8-9-17(21-12-15)18(23)20-11-10-14-6-4-5-7-16(14)19/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyBENWHJDVQOLHDH-UHFFFAOYSA-N
XLogP3.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109181634
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602
methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109192216
2-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109321216
5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188857
5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192183
N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179678
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181224
5-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641754
N-[2-(4-fluorophenyl)ethyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189475

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide (CID 109181620) is 5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide is CCC(C)Nc1ccc(C(=O)NCCc2ccccc2F)nc1.
What is the InChIKey of 5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is BENWHJDVQOLHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-3-13(2)22-15-8-9-17(21-12-15)18(23)20-11-10-14-6-4-5-7-16(14)19/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,20,23).
What are the key properties of 5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109181620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).