3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide

C21H26BrN3O2 — CID 90150861

IUPAC3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Br)cc(NCC3CCCC3)c2)c(=O)[nH]1
InChIInChI=1S/C21H26BrN3O2/c1-13-7-14(2)25-21(27)19(13)12-24-20(26)16-8-17(22)10-18(9-16)23-11-15-5-3-4-6-15/h7-10,15,23H,3-6,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLNFJXOFEODEXBN-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.29
Rot. Bonds6

About 3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide

3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide (PubChem CID 90150861) has the molecular formula C21H26BrN3O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is 3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
PubChem CID90150861
Molecular FormulaC21H26BrN3O2
Molecular Weight432.36 g/mol
Exact Mass431.12
IUPAC Name3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Br)cc(NCC3CCCC3)c2)c(=O)[nH]1
InChIInChI=1S/C21H26BrN3O2/c1-13-7-14(2)25-21(27)19(13)12-24-20(26)16-8-17(22)10-18(9-16)23-11-15-5-3-4-6-15/h7-10,15,23H,3-6,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLNFJXOFEODEXBN-UHFFFAOYSA-N
XLogP4.29
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide with MolForge

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Related Compounds

(2S,3R)-7-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 118096657
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 71569515
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-6-carboxamide
CID 127029640
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
3-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176500545
3-[(1-acetylpiperidin-4-yl)methyl-ethylamino]-5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
CID 123217609
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethynylbenzamide
CID 90450761
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83626481
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane
CID 144740565
cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95976062
7-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1H-quinoline-5-carboxamide
CID 164522603
6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 27170982

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide?
The IUPAC name of 3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide (CID 90150861) is 3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide is Cc1cc(C)c(CNC(=O)c2cc(Br)cc(NCC3CCCC3)c2)c(=O)[nH]1.
What is the InChIKey of 3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide?
The InChIKey is LNFJXOFEODEXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O2/c1-13-7-14(2)25-21(27)19(13)12-24-20(26)16-8-17(22)10-18(9-16)23-11-15-5-3-4-6-15/h7-10,15,23H,3-6,11-12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide?
3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide has a molecular weight of 432.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 90150861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).