2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide

C15H15BrN4O2 — CID 133328257

IUPAC2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN4O2/c1-17-15(22)12-3-2-8-18-14(12)19-9-13(21)20-11-6-4-10(16)5-7-11/h2-8H,9H2,1H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyFEGBCPXPYQLXIU-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.25
Rot. Bonds5

About 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide

2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 133328257) has the molecular formula C15H15BrN4O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide
PubChem CID133328257
Molecular FormulaC15H15BrN4O2
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN4O2/c1-17-15(22)12-3-2-8-18-14(12)19-9-13(21)20-11-6-4-10(16)5-7-11/h2-8H,9H2,1H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyFEGBCPXPYQLXIU-UHFFFAOYSA-N
XLogP2.25
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide
CID 133301482
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide
CID 7774992
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
2-(4-bromoanilino)-N-prop-2-ynylpyridine-3-carboxamide
CID 118126274
N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide
CID 47059548
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
N-methyl-2-[(1-methylcyclopentyl)methylamino]pyridine-3-carboxamide
CID 133321099
N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62186791

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide (CID 133328257) is 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is FEGBCPXPYQLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2/c1-17-15(22)12-3-2-8-18-14(12)19-9-13(21)20-11-6-4-10(16)5-7-11/h2-8H,9H2,1H3,(H,17,22)(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide?
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 363.22 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133328257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).