N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide

C23H22ClFN4O2 — CID 3231058

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)c1ccc(Cl)nc1)c1ccc(F)cc1
InChIInChI=1S/C23H22ClFN4O2/c1-23(2,3)28-21(30)20(18-6-4-5-13-26-18)29(17-10-8-16(25)9-11-17)22(31)15-7-12-19(24)27-14-15/h4-14,20H,1-3H3,(H,28,30)
InChIKeyDWPDFYZWDBYIGD-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.57
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 3231058) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID3231058
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)c1ccc(Cl)nc1)c1ccc(F)cc1
InChIInChI=1S/C23H22ClFN4O2/c1-23(2,3)28-21(30)20(18-6-4-5-13-26-18)29(17-10-8-16(25)9-11-17)22(31)15-7-12-19(24)27-14-15/h4-14,20H,1-3H3,(H,28,30)
InChIKeyDWPDFYZWDBYIGD-UHFFFAOYSA-N
XLogP4.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 3231058) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide is CC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)c1ccc(Cl)nc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is DWPDFYZWDBYIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c1-23(2,3)28-21(30)20(18-6-4-5-13-26-18)29(17-10-8-16(25)9-11-17)22(31)15-7-12-19(24)27-14-15/h4-14,20H,1-3H3,(H,28,30).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 440.91 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 3231058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).