N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide

C23H21FN4O3 — CID 166492549

IUPACN-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)ncc2C(C)=O)cccc1-c1ccc(F)cn1
InChIInChI=1S/C23H21FN4O3/c1-13(29)17-12-26-21(28-23(30)14-6-7-14)10-20(17)27-19-5-3-4-16(22(19)31-2)18-9-8-15(24)11-25-18/h3-5,8-12,14H,6-7H2,1-2H3,(H2,26,27,28,30)
InChIKeyODCCUJZANUCDIY-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.59
Rot. Bonds7

About N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 166492549) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID166492549
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC NameN-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)ncc2C(C)=O)cccc1-c1ccc(F)cn1
InChIInChI=1S/C23H21FN4O3/c1-13(29)17-12-26-21(28-23(30)14-6-7-14)10-20(17)27-19-5-3-4-16(22(19)31-2)18-9-8-15(24)11-25-18/h3-5,8-12,14H,6-7H2,1-2H3,(H2,26,27,28,30)
InChIKeyODCCUJZANUCDIY-UHFFFAOYSA-N
XLogP4.59
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 170318082
6-(cyclopropanecarbonylamino)-4-[3-(5-dicyclopropylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridine-3-carboxamide
CID 170719755
N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642
6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide
CID 163387350
N-[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;methane
CID 161137415
N-[5-(2-fluorocyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 155279406
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200
6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 155674539
N-[4-[3-(3-dimethylphosphoryl-1,2,4-thiadiazol-5-yl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 166171143
6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
CID 170966064
3,3,3-trideuterio-1-[4-[3-[5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyrazin-2-yl]-2-methoxyanilino]-6-[(5-fluoro-2-pyridinyl)amino]-3-pyridinyl]propan-1-one
CID 172503297
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-methyl-1,5-dihydro-1,2,4-triazol-5-yl)anilino]-N-methylpyridine-3-carboxamide
CID 138645799

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide (CID 166492549) is N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)ncc2C(C)=O)cccc1-c1ccc(F)cn1.
What is the InChIKey of N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ODCCUJZANUCDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-13(29)17-12-26-21(28-23(30)14-6-7-14)10-20(17)27-19-5-3-4-16(22(19)31-2)18-9-8-15(24)11-25-18/h3-5,8-12,14H,6-7H2,1-2H3,(H2,26,27,28,30).
What are the key properties of N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 420.44 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 166492549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).