2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

C15H14BrN3O2 — CID 18106926

IUPAC2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCc1ccnc(NC(=O)CNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H14BrN3O2/c1-10-6-7-17-13(8-10)19-14(20)9-18-15(21)11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyOIAAJFKHQAMPHI-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.52
Rot. Bonds4

About 2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 18106926) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID18106926
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCc1ccnc(NC(=O)CNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H14BrN3O2/c1-10-6-7-17-13(8-10)19-14(20)9-18-15(21)11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyOIAAJFKHQAMPHI-UHFFFAOYSA-N
XLogP2.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-2-yl)benzamide
CID 219990
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
3-(2-{[(5-bromopyridin-2-yl)carbamothioyl]amino}ethyl)-2,4-difluoro-N-methylbenzamide
CID 3001079
N-(5-Bromo-2-pyridinyl)-1-naphthamide
CID 593268
(E)-1-(4-bromophenyl)-3-[(4-methylpyridin-2-yl)amino]prop-2-en-1-one
CID 1927167
N-(pyridin-2-ylcarbamoyl)benzamide
CID 2985532
Benzamide, 4-(acetylamino)-N-2-pyridinyl-
CID 215925
N-(3-Methyl-2-pyridinyl)benzamide
CID 90211
2-Methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 3363325
PETT deriv. 15
CID 492704
3-(5-Bromopyridin-2-yl)-1-(3-oxo-3-phenylpropyl)thiourea
CID 3003668
N-(5-bromopyridin-2-yl)-3-(4-oxoquinazolin-3(4H)-yl)propanamide
CID 16426130

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 18106926) is 2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is Cc1ccnc(NC(=O)CNC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is OIAAJFKHQAMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-10-6-7-17-13(8-10)19-14(20)9-18-15(21)11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of 2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 348.20 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18106926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).