N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C28H31FN4O3 — CID 3213417

IUPACN-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccc(N3CCCC3)nc2)C(C(=O)NC(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H31FN4O3/c1-19(2)31-27(34)26(20-6-9-22(29)10-7-20)33(23-11-13-24(36-3)14-12-23)28(35)21-8-15-25(30-18-21)32-16-4-5-17-32/h6-15,18-19,26H,4-5,16-17H2,1-3H3,(H,31,34)
InChIKeyHZUZDIBFXNJMAD-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.74
Rot. Bonds8

About N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 3213417) has the molecular formula C28H31FN4O3 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID3213417
Molecular FormulaC28H31FN4O3
Molecular Weight490.58 g/mol
Exact Mass490.24
IUPAC NameN-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccc(N3CCCC3)nc2)C(C(=O)NC(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H31FN4O3/c1-19(2)31-27(34)26(20-6-9-22(29)10-7-20)33(23-11-13-24(36-3)14-12-23)28(35)21-8-15-25(30-18-21)32-16-4-5-17-32/h6-15,18-19,26H,4-5,16-17H2,1-3H3,(H,31,34)
InChIKeyHZUZDIBFXNJMAD-UHFFFAOYSA-N
XLogP4.74
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 4988764
N-[1-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570773
2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one
CID 83888261
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 3202114
N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 1434704
6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
CID 37360268
3,5-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
CID 31574700
2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119358653
4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide
CID 55735273
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 1441771
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 3213417) is N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is COc1ccc(N(C(=O)c2ccc(N3CCCC3)nc2)C(C(=O)NC(C)C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is HZUZDIBFXNJMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O3/c1-19(2)31-27(34)26(20-6-9-22(29)10-7-20)33(23-11-13-24(36-3)14-12-23)28(35)21-8-15-25(30-18-21)32-16-4-5-17-32/h6-15,18-19,26H,4-5,16-17H2,1-3H3,(H,31,34).
What are the key properties of N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 3213417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).