4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide

C23H24ClFN4O2 — CID 118219083

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)N[C@@H](C)CO
InChIInChI=1S/C23H24ClFN4O2/c1-13(2)17-11-27-21(16-8-15(24)4-5-19(16)25)9-22(17)29-20-6-7-26-10-18(20)23(31)28-14(3)12-30/h4-11,13-14,30H,12H2,1-3H3,(H,28,31)(H,26,27,29)/t14-/m0/s1
InChIKeyPOMBIFQUJUHXAV-AWEZNQCLSA-N
MW442.92 g/mol
LogP4.91
Rot. Bonds7

About 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide (PubChem CID 118219083) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
PubChem CID118219083
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)N[C@@H](C)CO
InChIInChI=1S/C23H24ClFN4O2/c1-13(2)17-11-27-21(16-8-15(24)4-5-19(16)25)9-22(17)29-20-6-7-26-10-18(20)23(31)28-14(3)12-30/h4-11,13-14,30H,12H2,1-3H3,(H,28,31)(H,26,27,29)/t14-/m0/s1
InChIKeyPOMBIFQUJUHXAV-AWEZNQCLSA-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-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide (CID 118219083) is 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide is CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)N[C@@H](C)CO.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The InChIKey is POMBIFQUJUHXAV-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c1-13(2)17-11-27-21(16-8-15(24)4-5-19(16)25)9-22(17)29-20-6-7-26-10-18(20)23(31)28-14(3)12-30/h4-11,13-14,30H,12H2,1-3H3,(H,28,31)(H,26,27,29)/t14-/m0/s1.
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]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-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118219083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).