4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide

C28H25FN4O3 — CID 25265159

IUPAC4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide
SMILESCn1cc(-c2cccc(NC(=O)c3ccc(C4(F)CC4)cc3)c2CO)cc(Nc2ccccn2)c1=O
InChIInChI=1S/C28H25FN4O3/c1-33-16-19(15-24(27(33)36)31-25-7-2-3-14-30-25)21-5-4-6-23(22(21)17-34)32-26(35)18-8-10-20(11-9-18)28(29)12-13-28/h2-11,14-16,34H,12-13,17H2,1H3,(H,30,31)(H,32,35)
InChIKeyWAKIBALDVNNUSU-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.89
Rot. Bonds7

About 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide

4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide (PubChem CID 25265159) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide
PubChem CID25265159
Molecular FormulaC28H25FN4O3
Molecular Weight484.53 g/mol
Exact Mass484.19
IUPAC Name4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide
SMILESCn1cc(-c2cccc(NC(=O)c3ccc(C4(F)CC4)cc3)c2CO)cc(Nc2ccccn2)c1=O
InChIInChI=1S/C28H25FN4O3/c1-33-16-19(15-24(27(33)36)31-25-7-2-3-14-30-25)21-5-4-6-23(22(21)17-34)32-26(35)18-8-10-20(11-9-18)28(29)12-13-28/h2-11,14-16,34H,12-13,17H2,1H3,(H,30,31)(H,32,35)
InChIKeyWAKIBALDVNNUSU-UHFFFAOYSA-N
XLogP4.89
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide with MolForge

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Related Compounds

4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide
CID 71022390
N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide
CID 25265014
4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxo-5-[[5-(3-oxopiperazine-1-carbonyl)-2-pyridinyl]amino]-3-pyridinyl]phenyl]benzamide
CID 24900826
4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[(5-methyl-2-pyridinyl)amino]-6-oxo-3-pyridinyl]phenyl]benzamide;4-ethylheptane
CID 143646137
4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[[6-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-yl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide
CID 59557867
4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide
CID 24901230
4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide
CID 24901369
N-[3-[5-[[5-(dimethylamino)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 59740578
8-tert-butyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one
CID 46945182
4-tert-butyl-N-[2-methyl-3-[5-[(6-morpholin-4-ylpyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]benzamide;N-[2-methyl-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 90696308
2-[3-[5-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-(hydroxymethyl)phenyl]-6-tert-butylphthalazin-1-one
CID 44553889
6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one
CID 78324339

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide?
The IUPAC name of 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide (CID 25265159) is 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide?
The canonical SMILES for 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide is Cn1cc(-c2cccc(NC(=O)c3ccc(C4(F)CC4)cc3)c2CO)cc(Nc2ccccn2)c1=O.
What is the InChIKey of 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide?
The InChIKey is WAKIBALDVNNUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-33-16-19(15-24(27(33)36)31-25-7-2-3-14-30-25)21-5-4-6-23(22(21)17-34)32-26(35)18-8-10-20(11-9-18)28(29)12-13-28/h2-11,14-16,34H,12-13,17H2,1H3,(H,30,31)(H,32,35).
What are the key properties of 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide?
4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide has a molecular weight of 484.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 25265159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).