N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide

C21H17ClF2N4O2 — CID 162746743

IUPACN-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide
SMILESCCC(=O)N(c1ccnc(F)c1)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccn1
InChIInChI=1S/C21H17ClF2N4O2/c1-2-20(30)28(15-7-9-25-17(24)12-15)18-11-14(6-8-26-18)27-19(29)10-13-4-3-5-16(23)21(13)22/h3-9,11-12H,2,10H2,1H3,(H,26,27,29)
InChIKeyUYQIWWJPUJEGPV-UHFFFAOYSA-N
MW430.84 g/mol
LogP4.66
Rot. Bonds6

About N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide

N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide (PubChem CID 162746743) has the molecular formula C21H17ClF2N4O2 and a molecular weight of 430.84 g/mol. Its IUPAC name is N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide
PubChem CID162746743
Molecular FormulaC21H17ClF2N4O2
Molecular Weight430.84 g/mol
Exact Mass430.10
IUPAC NameN-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide
SMILESCCC(=O)N(c1ccnc(F)c1)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccn1
InChIInChI=1S/C21H17ClF2N4O2/c1-2-20(30)28(15-7-9-25-17(24)12-15)18-11-14(6-8-26-18)27-19(29)10-13-4-3-5-16(23)21(13)22/h3-9,11-12H,2,10H2,1H3,(H,26,27,29)
InChIKeyUYQIWWJPUJEGPV-UHFFFAOYSA-N
XLogP4.66
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.84
LogP ≤ 54.66
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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Related Compounds

N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746556
N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746490
N-[2-[acetyl-(5-fluoro-2-methyl-4-pyridinyl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746501
2-(2-chloro-3-fluorophenyl)-N-pyridin-4-ylacetamide
CID 166927626
N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide
CID 162428357
2-(2-chloro-3-fluorophenyl)-N-[2-(4-fluoroanilino)-4-pyridinyl]acetamide
CID 162428246
N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chloro-4-fluorophenyl)acetamide;N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 175417454
N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 162746788
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
CID 162746509
N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162428219
N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425
N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide?
The IUPAC name of N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide (CID 162746743) is N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide.
What is the SMILES notation for N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide?
The canonical SMILES for N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide is CCC(=O)N(c1ccnc(F)c1)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccn1.
What is the InChIKey of N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide?
The InChIKey is UYQIWWJPUJEGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N4O2/c1-2-20(30)28(15-7-9-25-17(24)12-15)18-11-14(6-8-26-18)27-19(29)10-13-4-3-5-16(23)21(13)22/h3-9,11-12H,2,10H2,1H3,(H,26,27,29).
What are the key properties of N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide?
N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide has a molecular weight of 430.84 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide is sourced from PubChem (CID 162746743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).