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

C27H23FN4O3 — CID 71022390

IUPAC4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2c[nH]c(=O)c(Nc3ccccn3)c2)c1CO)c1ccc(C2(F)CC2)cc1
InChIInChI=1S/C27H23FN4O3/c28-27(11-12-27)19-9-7-17(8-10-19)25(34)32-22-5-3-4-20(21(22)16-33)18-14-23(26(35)30-15-18)31-24-6-1-2-13-29-24/h1-10,13-15,33H,11-12,16H2,(H,29,31)(H,30,35)(H,32,34)
InChIKeyYPRLZNOHYHYEEU-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.88
Rot. Bonds7

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

4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide (PubChem CID 71022390) has the molecular formula C27H23FN4O3 and a molecular weight of 470.50 g/mol. Its IUPAC name is 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide
PubChem CID71022390
Molecular FormulaC27H23FN4O3
Molecular Weight470.50 g/mol
Exact Mass470.18
IUPAC Name4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2c[nH]c(=O)c(Nc3ccccn3)c2)c1CO)c1ccc(C2(F)CC2)cc1
InChIInChI=1S/C27H23FN4O3/c28-27(11-12-27)19-9-7-17(8-10-19)25(34)32-22-5-3-4-20(21(22)16-33)18-14-23(26(35)30-15-18)31-24-6-1-2-13-29-24/h1-10,13-15,33H,11-12,16H2,(H,29,31)(H,30,35)(H,32,34)
InChIKeyYPRLZNOHYHYEEU-UHFFFAOYSA-N
XLogP4.88
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]benzamide
CID 25265159
N-[2-methyl-3-[5-[[5-[2-(methylamino)ethylamino]-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 149041278
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
N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide
CID 25265014
N-[2-methyl-3-[5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 59740580
4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692562
2-[(4-hydroxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 129127209
4-cyano-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 11536964
4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 11717788
4-tert-butyl-N-[2-methyl-3-[6-oxo-5-[[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-3-yl]phenyl]benzamide
CID 68855398
N-[3-[5-[[[4-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]amino]methyl]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]-4-tert-butylbenzamide
CID 68857150
N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide
CID 148543420

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide?
The IUPAC name of 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide (CID 71022390) is 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide.
What is the SMILES notation for 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide?
The canonical SMILES for 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide is O=C(Nc1cccc(-c2c[nH]c(=O)c(Nc3ccccn3)c2)c1CO)c1ccc(C2(F)CC2)cc1.
What is the InChIKey of 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide?
The InChIKey is YPRLZNOHYHYEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3/c28-27(11-12-27)19-9-7-17(8-10-19)25(34)32-22-5-3-4-20(21(22)16-33)18-14-23(26(35)30-15-18)31-24-6-1-2-13-29-24/h1-10,13-15,33H,11-12,16H2,(H,29,31)(H,30,35)(H,32,34).
What are the key properties of 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide?
4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide has a molecular weight of 470.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluorocyclopropyl)-N-[2-(hydroxymethyl)-3-[6-oxo-5-(pyridin-2-ylamino)-1H-pyridin-3-yl]phenyl]benzamide is sourced from PubChem (CID 71022390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).