4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide

C23H22ClFN4O2 — CID 118211307

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C1CC1
InChIInChI=1S/C23H22ClFN4O2/c1-13(30)10-28-23(31)18-11-26-7-6-20(18)29-22-9-21(27-12-17(22)14-2-3-14)16-8-15(24)4-5-19(16)25/h4-9,11-14,30H,2-3,10H2,1H3,(H,28,31)(H,26,27,29)/t13-/m0/s1
InChIKeyWQPRHDZTTYJDPW-ZDUSSCGKSA-N
MW440.91 g/mol
LogP4.67
Rot. Bonds7

About 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 118211307) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID118211307
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C1CC1
InChIInChI=1S/C23H22ClFN4O2/c1-13(30)10-28-23(31)18-11-26-7-6-20(18)29-22-9-21(27-12-17(22)14-2-3-14)16-8-15(24)4-5-19(16)25/h4-9,11-14,30H,2-3,10H2,1H3,(H,28,31)(H,26,27,29)/t13-/m0/s1
InChIKeyWQPRHDZTTYJDPW-ZDUSSCGKSA-N
XLogP4.67
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.67
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-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide (CID 118211307) is 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide is C[C@H](O)CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C1CC1.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is WQPRHDZTTYJDPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c1-13(30)10-28-23(31)18-11-26-7-6-20(18)29-22-9-21(27-12-17(22)14-2-3-14)16-8-15(24)4-5-19(16)25/h4-9,11-14,30H,2-3,10H2,1H3,(H,28,31)(H,26,27,29)/t13-/m0/s1.
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 440.91 g/mol, XLogP of 4.67, 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-cyclopropyl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 118211307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).