N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide

C18H20BrN3O2 — CID 60610354

IUPACN-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide
SMILESCc1ccc(Br)cc1NC(=O)CCNC(=O)CCc1ccccn1
InChIInChI=1S/C18H20BrN3O2/c1-13-5-6-14(19)12-16(13)22-18(24)9-11-21-17(23)8-7-15-4-2-3-10-20-15/h2-6,10,12H,7-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyUPDGSKWPXYEENH-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.23
Rot. Bonds7

About N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide

N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide (PubChem CID 60610354) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide
PubChem CID60610354
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC NameN-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide
SMILESCc1ccc(Br)cc1NC(=O)CCNC(=O)CCc1ccccn1
InChIInChI=1S/C18H20BrN3O2/c1-13-5-6-14(19)12-16(13)22-18(24)9-11-21-17(23)8-7-15-4-2-3-10-20-15/h2-6,10,12H,7-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyUPDGSKWPXYEENH-UHFFFAOYSA-N
XLogP3.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide
CID 111193726
3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 119312307
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217
3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide
CID 60615561
3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107
(2R)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylbutanamide
CID 94819863
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-(5-bromo-2-methylphenyl)-4-chlorobutanamide
CID 63307861
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852007

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide (CID 60610354) is N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide is Cc1ccc(Br)cc1NC(=O)CCNC(=O)CCc1ccccn1.
What is the InChIKey of N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide?
The InChIKey is UPDGSKWPXYEENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-13-5-6-14(19)12-16(13)22-18(24)9-11-21-17(23)8-7-15-4-2-3-10-20-15/h2-6,10,12H,7-9,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide?
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide has a molecular weight of 390.28 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 60610354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).