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

C21H26BrN3O2 — CID 70913065

IUPAC3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Br)cc(N(C)C3CCCC3)c2)c(=O)[nH]1
InChIInChI=1S/C21H26BrN3O2/c1-13-8-14(2)24-21(27)19(13)12-23-20(26)15-9-16(22)11-18(10-15)25(3)17-6-4-5-7-17/h8-11,17H,4-7,12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyDRKIQHCPNYXOLE-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.06
Rot. Bonds5

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

3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide (PubChem CID 70913065) has the molecular formula C21H26BrN3O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is 3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
PubChem CID70913065
Molecular FormulaC21H26BrN3O2
Molecular Weight432.36 g/mol
Exact Mass431.12
IUPAC Name3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Br)cc(N(C)C3CCCC3)c2)c(=O)[nH]1
InChIInChI=1S/C21H26BrN3O2/c1-13-8-14(2)24-21(27)19(13)12-23-20(26)15-9-16(22)11-18(10-15)25(3)17-6-4-5-7-17/h8-11,17H,4-7,12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyDRKIQHCPNYXOLE-UHFFFAOYSA-N
XLogP4.06
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide?
The IUPAC name of 3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide (CID 70913065) is 3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide is Cc1cc(C)c(CNC(=O)c2cc(Br)cc(N(C)C3CCCC3)c2)c(=O)[nH]1.
What is the InChIKey of 3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide?
The InChIKey is DRKIQHCPNYXOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O2/c1-13-8-14(2)24-21(27)19(13)12-23-20(26)15-9-16(22)11-18(10-15)25(3)17-6-4-5-7-17/h8-11,17H,4-7,12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide?
3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide has a molecular weight of 432.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 70913065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).