4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide

C23H24ClFN4O2 — CID 118211112

IUPAC4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ccc1C(C)C
InChIInChI=1S/C23H24ClFN4O2/c1-13(2)16-5-7-20(17-10-15(24)4-6-19(17)25)28-22(16)29-21-8-9-26-12-18(21)23(31)27-11-14(3)30/h4-10,12-14,30H,11H2,1-3H3,(H,27,31)(H,26,28,29)
InChIKeyZKYAOTPTLLBEHA-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.91
Rot. Bonds7

About 4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide

4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 118211112) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is 4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
PubChem CID118211112
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC Name4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ccc1C(C)C
InChIInChI=1S/C23H24ClFN4O2/c1-13(2)16-5-7-20(17-10-15(24)4-6-19(17)25)28-22(16)29-21-8-9-26-12-18(21)23(31)27-11-14(3)30/h4-10,12-14,30H,11H2,1-3H3,(H,27,31)(H,26,28,29)
InChIKeyZKYAOTPTLLBEHA-UHFFFAOYSA-N
XLogP4.91
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide (CID 118211112) is 4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide is CC(O)CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ccc1C(C)C.
What is the InChIKey of 4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is ZKYAOTPTLLBEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c1-13(2)16-5-7-20(17-10-15(24)4-6-19(17)25)28-22(16)29-21-8-9-26-12-18(21)23(31)27-11-14(3)30/h4-10,12-14,30H,11H2,1-3H3,(H,27,31)(H,26,28,29).
What are the key properties of 4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 442.92 g/mol, XLogP of 4.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(5-chloro-2-fluorophenyl)-3-propan-2-yl-2-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 118211112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).