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

C24H25ClFN5O2 — CID 118211175

IUPACN-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(C)C
InChIInChI=1S/C24H25ClFN5O2/c1-14(2)18-13-30-22(17-10-16(25)4-5-20(17)26)11-23(18)31-21-6-7-27-12-19(21)24(33)29-9-8-28-15(3)32/h4-7,10-14H,8-9H2,1-3H3,(H,28,32)(H,29,33)(H,27,30,31)
InChIKeyZJRZWWGSQJZWFS-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.67
Rot. Bonds8

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

N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 118211175) has the molecular formula C24H25ClFN5O2 and a molecular weight of 469.95 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID118211175
Molecular FormulaC24H25ClFN5O2
Molecular Weight469.95 g/mol
Exact Mass469.17
IUPAC NameN-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(C)C
InChIInChI=1S/C24H25ClFN5O2/c1-14(2)18-13-30-22(17-10-16(25)4-5-20(17)26)11-23(18)31-21-6-7-27-12-19(21)24(33)29-9-8-28-15(3)32/h4-7,10-14H,8-9H2,1-3H3,(H,28,32)(H,29,33)(H,27,30,31)
InChIKeyZJRZWWGSQJZWFS-UHFFFAOYSA-N
XLogP4.67
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide (CID 118211175) is N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide is CC(=O)NCCNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(C)C.
What is the InChIKey of N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is ZJRZWWGSQJZWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O2/c1-14(2)18-13-30-22(17-10-16(25)4-5-20(17)26)11-23(18)31-21-6-7-27-12-19(21)24(33)29-9-8-28-15(3)32/h4-7,10-14H,8-9H2,1-3H3,(H,28,32)(H,29,33)(H,27,30,31).
What are the key properties of N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 469.95 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118211175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).