N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide

C17H19BrN4O2 — CID 42954179

IUPACN-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)NC(C)c1ccccn1
InChIInChI=1S/C17H19BrN4O2/c1-11-9-13(18)6-7-14(11)22-16(23)10-20-17(24)21-12(2)15-5-3-4-8-19-15/h3-9,12H,10H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyOXNMWNRGQFTNOQ-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.15
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide

N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide (PubChem CID 42954179) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide
PubChem CID42954179
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)NC(C)c1ccccn1
InChIInChI=1S/C17H19BrN4O2/c1-11-9-13(18)6-7-14(11)22-16(23)10-20-17(24)21-12(2)15-5-3-4-8-19-15/h3-9,12H,10H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyOXNMWNRGQFTNOQ-UHFFFAOYSA-N
XLogP3.15
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 51944656
N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 55485275
N-(4-bromo-2-methylphenyl)-2-[[(S)-cyclopropyl(phenyl)methyl]carbamoylamino]acetamide
CID 41285988
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea
CID 48636675
N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401913
N-(4-bromo-2-methylphenyl)-3-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoylamino]propanamide
CID 86960177
N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401760
N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide
CID 52550986
2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 46605183
(2R)-2-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 26008291
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 18135661

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide (CID 42954179) is N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)NC(C)c1ccccn1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide?
The InChIKey is OXNMWNRGQFTNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-11-9-13(18)6-7-14(11)22-16(23)10-20-17(24)21-12(2)15-5-3-4-8-19-15/h3-9,12H,10H2,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide?
N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide is sourced from PubChem (CID 42954179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).